Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3740415

CCN(C(C)=O)C1CCNCC1.Cl

nearest known ligand 0.48

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
SLC6A4 known ✓ P31645 10/20 0.48
SLC6A2 known ✓ P23975 9/20 0.48
SLC6A3 known ✓ Q01959 4/20 0.48
KCNH2 known ✓ Q12809 4/20 0.40
PIK3CD known ✓ O00329 1/20 0.39
DPP4 known ✓ P27487 1/20 0.36
GABRP known ✓ O00591 1/20 0.34
GABRD known ✓ O14764 1/20 0.34
GABRA1 known ✓ P14867 1/20 0.34
GABRB1 known ✓ P18505 1/20 0.34
GABRG2 known ✓ P18507 1/20 0.34
GABRB3 known ✓ P28472 1/20 0.34
GABRA5 known ✓ P31644 1/20 0.34
GABRA3 known ✓ P34903 1/20 0.34
GABRA2 known ✓ P47869 1/20 0.34
GABRB2 known ✓ P47870 1/20 0.34
GABRA4 known ✓ P48169 1/20 0.34
GABRE known ✓ P78334 1/20 0.34
GABRA6 known ✓ Q16445 1/20 0.34
GABRG1 known ✓ Q8N1C3 1/20 0.34

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
SCHEMBL297266 0.98 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2PIK3CD
SCHEMBL14224174 0.87 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1060281 0.87 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1877085 0.87 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2
Trifluoroacetic Acid SCHEMBL18428991 0.87 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2DPP4
SCHEMBL1290745 0.84 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2PLAT
SCHEMBL3282412 0.83
SCHEMBL295814 0.83 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2PIK3CD
Hydrochloric Acid SCHEMBL22797923 0.81 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2GNAI3
SCHEMBL19632137 0.81 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3KCNH2PIK3CD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822262-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
CN-107949558-B Muscarinic agonists 赫普泰雅治疗有限公司 2022-03-15 CN disclosed
US-11091456-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
EP-3822262-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2021-05-19 EP disclosed
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20190270718-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2019-09-05 US disclosed
US-10351545-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-07-16 US disclosed
US-10167272-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-01-01 US disclosed
US-20180155315-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-07 US disclosed
US-20180022726-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-01-25 US disclosed
US-9758506-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-09-12 US disclosed
US-20170037025-A1 Muscarinic Agonists NXERA PHARMA UK LIMITED (GB) 2017-02-09 US disclosed
CN-102459251-B Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene a4 hydrolase JANSSEN PHARMACEUTICA NV 2015-05-20 CN disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
CN-102459251-A Compounds having two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (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-11091456-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885
US-20180022726-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R SLC6A4 2216/4885SLC6A2 4644/4885SLC6A3 4740/4885
US-20190270718-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885
US-10351545-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885
US-20170037025-A1 Muscarinic Agonists CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885
US-20180155315-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885
US-10167272-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 SLC6A4 789/4885SLC6A2 591/4885SLC6A3 636/4885

“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.