Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29419935

COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 1.00
CHRM5 known ✓ P08912 1/20 1.00
ADRA2C known ✓ P18825 1/20 1.00
S1PR1 known ✓ P21453 1/20 1.00
OPRK1 known ✓ P41145 1/20 1.00
SIGMAR1 known ✓ Q99720 1/20 1.00
HRH3 known ✓ Q9Y5N1 1/20 1.00
FPR1 P21462 1/20 1.00
C5AR1 P21730 1/20 1.00
GPR183 P32249 1/20 1.00
APLNR P35414 1/20 1.00
GLP1R P43220 1/20 1.00
CX3CR1 P49238 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
ADGRF1 Q5T601 1/20 1.00
GPR65 Q8IYL9 1/20 1.00
GPR119 Q8TDV5 1/20 1.00
GPR35 Q9HC97 1/20 1.00
BDKRB1 P46663 5/20 0.48
F2 P00734 10/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2358624 1.00 CHRM2 (1.00) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5155983 0.99 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL1713111 0.99 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5231688 0.99 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1
Fumaric Acid SCHEMBL5148843 0.96 CHRM2 (0.92) CHRM2CHRM5ADRA2CS1PR1FPR1
Fumaric Acid SCHEMBL5148833 0.96 CHRM2 (0.92) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL13984982 0.90 CHRM2 (0.82) CHRM2CHRM5ADRA2CS1PR1FPR1
Hydrochloric Acid SCHEMBL2358619 0.90 CHRM2 (0.81) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5151119 0.89 CHRM2 (0.81) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5230609 0.89 CHRM2 (0.81) CHRM2CHRM5ADRA2CS1PR1FPR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637455-B2 Naphthyridine and pyrido[3,4-c]pyridazine derivatives as GABAA α5 receptor modulators RICHTER GEDEON NYRT. (HU) 2026-05-26 US disclosed
EP-4126858-B1 DIHYDRO-2-PYRROLO[3,4-C]PYRIDINE DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS RICHTER GEDEON NYRT (HU) 2026-03-18 EP disclosed
US-12534458-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2026-01-27 US disclosed
EP-3856342-B1 BICYCLIC DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS RICHTER GEDEON NYRT (HU) 2025-12-10 EP disclosed
US-12370182-B2 Bicyclic derivatives as GABAA A5 receptor modulators RICHTER GEDEON NYRT. (HU) 2025-07-29 US disclosed
US-12331022-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20250064823-A1 THIADIAZINE DERIVATIVES RICHTER GEDEON NYRT (HU) 2025-02-27 US disclosed
US-20250051323-A1 BICYCLIC AMINE DERIVATIVES AS GABAA alpha5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2025-02-13 US disclosed
US-12194050-B2 Thiadiazine derivatives RICHTER GEDEON NYRT. (HU) 2025-01-14 US disclosed
CN-112119076-B Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors 默沙东有限责任公司 2025-01-10 CN disclosed
EP-3644990-B1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-11-30 EP disclosed
CN-115348962-A As GABA A Naphthyridines and pyrido [3,4-c ] of alpha 5 receptor modulators]Pyridazine derivatives 吉瑞工厂 2022-11-15 CN disclosed
US-20220218676-A1 CHROMANE, ISOCHROMANE AND DIHYDROISOBENZOFURAN DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
CN-109983022-B Chroman, isochroman and dihydroisobenzofuran derivatives as mGluR2 negative allosteric modulators, compositions and uses thereof 默沙东公司 2022-06-07 CN disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 US disclosed
CN-109153649-B Allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2022-04-19 CN disclosed
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12331022-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 CHRM2 14/4885CHRM5 9/4885ADRA2C 24/4885
US-12534458-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA6, CHRNA7, CHRNA5 CHRM2 13/4885CHRM5 11/4885ADRA2C 24/4885
US-12370182-B2 Bicyclic derivatives as GABAA A5 receptor modulators GABRA5, GABRA1, GABRB1 CHRM2 189/4885CHRM5 57/4885ADRA2C 40/4885
US-12194050-B2 Thiadiazine derivatives CHRNA5, CHRNA7, CHRNA1 CHRM2 22/4885CHRM5 4/4885ADRA2C 21/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 CHRM2 12/4885CHRM5 8/4885ADRA2C 25/4885
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 CHRM2 2/4885CHRM5 3/4885ADRA2C 43/4885
US-20220218676-A1 CHROMANE, ISOCHROMANE AND DIHYDROISOBENZOFURAN DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRM2, GRIN2A, GRIA2 CHRM2 23/4885CHRM5 42/4885ADRA2C 225/4885
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 CHRM2 5/4885CHRM5 3/4885ADRA2C 56/4885
US-12637455-B2 Naphthyridine and pyrido[3,4-c]pyridazine derivatives as GABAA α5 receptor modulators GABRA5, GABRA1, GABRB1 CHRM2 144/4885CHRM5 81/4885ADRA2C 16/4885
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 CHRM2 3/4885CHRM5 1/4885ADRA2C 58/4885
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA2 CHRM2 22/4885CHRM5 12/4885ADRA2C 25/4885
US-20250064823-A1 THIADIAZINE DERIVATIVES CHRNA5, CHRNA7, CHRM5 CHRM2 20/4885CHRM5 3/4885ADRA2C 19/4885
US-20250051323-A1 BICYCLIC AMINE DERIVATIVES AS GABAA alpha5 RECEPTOR MODULATORS GABRA5, GABRB1, GABRA1 CHRM2 173/4885CHRM5 50/4885ADRA2C 36/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.