Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4668199

C1CN(CC2CC2)CCN1.Cl.Cl

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
CHRM5 known ✓ P08912 2/20 0.46
ADRA2C known ✓ P18825 1/20 0.46
ACHE known ✓ P22303 1/20 0.40
CACNA2D1 known ✓ P54289 1/20 0.36
CACNA1B known ✓ Q00975 1/20 0.36
CACNB1 known ✓ Q02641 1/20 0.36
SIGMAR1 known ✓ Q99720 2/20 0.36
CHRM3 known ✓ P20309 1/20 0.35
GBA1 P04062 2/20 0.39
CNR1 P21554 1/20 0.38
RAD52 P43351 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CXCR4 P61073 1/20 0.35

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 SCHEMBL21001940 1.00 CHRM5 (0.46) CHRM5ADRA2CACHEGBA1CNR1
Hydrochloric Acid SCHEMBL5570644 1.00 CHRM5 (0.46) CHRM5ADRA2CACHEGBA1CNR1
SCHEMBL731212 0.97 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CNR1
SCHEMBL20873850 0.97 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CNR1
SCHEMBL92626 0.97 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CNR1
SCHEMBL2912326 0.97 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CNR1
Bromide SCHEMBL31114948 0.95 CHRM5 (0.46) CHRM5ADRA2CACHEGBA1CNR1
Hydrochloric Acid SCHEMBL4668263 0.91 ADRA2C (0.50) CHRM5ADRA2CACHEGBA1CNR1
Hydrochloric Acid SCHEMBL1307635 0.91 CHRM5 (0.60) CHRM5ADRA2CACHEGBA1RAD52
Hydrochloric Acid SCHEMBL2130817 0.91 CHRM5 (0.54) CHRM5ADRA2CACHEGBA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612381-B2 Crystalline forms of n-(4-(4-(cyclopropylmethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide AGIOS PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
CN-117551030-A Crystalline forms of N- (4- (4- (cyclopropylmethyl) piperazine-1-carbonyl) phenyl) quinoline-8-sulfonamide 安吉奥斯医药品有限公司 2024-02-13 CN disclosed
EP-4285904-A2 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL) PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE Agios Pharmaceuticals, Inc. (US) 2023-12-06 EP disclosed
CN-111372920-B Crystalline forms of N- (4- (4- (cyclopropylmethyl) piperazine-1-carbonyl) phenyl) quinoline-8-sulfonamide 安吉奥斯医药品有限公司 2023-10-20 CN disclosed
EP-3713919-B1 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL) PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE AGIOS PHARMACEUTICALS INC (US) 2023-08-02 EP disclosed
US-20220220093-A1 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL)PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE AGIOS PHARMACEUTICALS, INC. 2022-07-14 US disclosed
US-11254652-B2 Crystalline forms of N-(4-(4-(cyclopropymethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide AGIOS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3713919-A1 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL) PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE Agios Pharmaceuticals, Inc. (US) 2020-09-30 EP disclosed
US-20200277279-A1 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL)PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE AGIOS PHARMACEUTICALS, INC. 2020-09-03 US disclosed
CN-111372920-A Crystalline forms of N- (4- (4- (cyclopropylmethyl) piperazine-1-carbonyl) phenyl) quinoline-8-sulfonamide 安吉奥斯医药品有限公司 2020-07-03 CN disclosed
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
CN-102421778-A Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO 2012-04-18 CN disclosed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 WO disclosed
US-6479482-B2 4-(3-((((3-(4-((3-METHYLBUTYL)AMINO)-1-PIPERIDINYL)PROPYL) -AMINO)-CARBONYL)AMINO)PHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5 -PYRIDINEDICARBOXYLIC ACID, DIMETHYL ESTER DIHYDROCHLORIDE, FOR EXAMPLE; ANOREXIANT; NEUROPEPTIDE Y (NPY) BRISTOL-MYERS SQUIBB COMPANY 2002-11-12 US disclosed
US-20020019384-A1 Alkylamine derivatives of dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-02-14 US disclosed
WO-2001085173-A1 ALKYLAMINE DERIVATIVES OF DIHYDROPYRIDINE NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO 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 (8 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-20220220093-A1 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL)PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE PCK1, PDK4, PDXK CHRM5 4525/4885ADRA2C 3735/4885ACHE 4506/4885
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 CHRM5 185/4885ADRA2C 213/4885ACHE 354/4885
US-11254652-B2 Crystalline forms of N-(4-(4-(cyclopropymethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide PCK1, PDK4, PDXK CHRM5 4562/4885ADRA2C 3427/4885ACHE 4507/4885
US-20200277279-A1 CRYSTALLINE FORMS OF N-(4-(4-(CYCLOPROPYLMETHYL)PIPERAZINE-1-CARBONYL)PHENYL)QUINOLINE-8-SULFONAMIDE PCK1, PDXK, PDK4 CHRM5 4590/4885ADRA2C 3545/4885ACHE 4539/4885
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 CHRM5 223/4885ADRA2C 4219/4885ACHE 962/4885
US-20020019384-A1 Alkylamine derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, NPY4R CHRM5 718/4885ADRA2C 118/4885ACHE 3319/4885
US-12612381-B2 Crystalline forms of n-(4-(4-(cyclopropylmethyl)piperazine-1-carbonyl)phenyl)quinoline-8-sulfonamide PKLR, PKM, HBZ CHRM5 4522/4885ADRA2C 3351/4885ACHE 3647/4885
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK CHRM5 4751/4885ADRA2C 1120/4885ACHE 2836/4885

“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.