Hydrochloric Acid

Hydrochloric Acid

SCHEMBL787250

CCOc1ccccc1N1CCNCC1.Cl

nearest known ligand 0.97

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
HTR1A known ✓ P08908 6/20 0.66
SLC6A2 known ✓ P23975 4/20 0.66
SLC6A4 known ✓ P31645 4/20 0.66
SLC6A3 known ✓ Q01959 3/20 0.66
HTR3A known ✓ P46098 3/20 0.66
DRD2 known ✓ P14416 2/20 0.66
DRD3 known ✓ P35462 2/20 0.66
HTR6 known ✓ P50406 2/20 0.66
HTR3E known ✓ A5X5Y0 1/20 0.66
HTR3B known ✓ O95264 1/20 0.66
ADRB1 known ✓ P08588 1/20 0.66
HTR3D known ✓ Q70Z44 1/20 0.66
HTR3C known ✓ Q8WXA8 1/20 0.66
SIGMAR1 known ✓ Q99720 1/20 0.66
DRD4 known ✓ P21917 1/20 0.58
HTR7 known ✓ P34969 1/20 0.55
MAPT P10636 2/20 0.69
LMNA P02545 1/20 0.69
CYP2C19 P33261 1/20 0.66
ALDH1A1 P00352 3/20 0.60

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 SCHEMBL16528267 1.00 MAPT (0.69) MAPTLMNAHTR1ASLC6A2SLC6A4
SCHEMBL7524534 0.98 HTR1A (0.68) MAPTLMNAHTR1ASLC6A2SLC6A4
SCHEMBL255189 0.98 HTR1A (0.68) MAPTLMNAHTR1ASLC6A2SLC6A4
Bromide SCHEMBL10621563 0.97 HTR1A (0.66) MAPTLMNAHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL15938311 0.95 HTR1A (0.64) MAPTLMNAHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL252532 0.94 LMNA (0.61) MAPTLMNAHTR1ASLC6A2SLC6A4
SCHEMBL14984391 0.92 HTR1A (0.61) MAPTLMNAHTR1ASLC6A2SLC6A4
SCHEMBL3805551 0.91 HTR1A (0.61) MAPTLMNAHTR1ASLC6A2SLC6A4
SCHEMBL5805251 0.89 ALDH1A1 (0.58) MAPTLMNAHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7302055 0.88 LMNA (0.65) MAPTLMNAHTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6086661-A (A)IMIDAZOLINIUM QUATERNARY SALT, (B) PHOSPHONIUM QUATERNARY SALT, OR (C) AN AMMONIUM QUATERNARY SALT; A PAPER-CURL REDUCING COMPOUND; DYE; STABILIZERS, BIOCIDE, WATER SOLUBLE SALT XEROX CORPORATION (US) 2000-07-11 US claimed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
EP-2963028-B1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2018-08-01 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-9278957-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2016-03-08 US disclosed
EP-2963028-A1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE Atir Holding S.A. (LU) 2016-01-06 EP disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
EP-2435414-B1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2015-08-19 EP disclosed
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GROEN AERONAUTICS CORPORATION 2015-04-09 US disclosed
US-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 US disclosed
US-20020107253-A1 Novel 4,5,-dihydroisoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-08-08 US disclosed
WO-2002030915-A2 ARYL-INDANE COMPOUNDS FOR USE AS INHIBITORS OF P-GLYCOPROTEIN MEDIATED TRANSPORT AVLAN LIMITED (GB) 2002-04-18 WO disclosed
US-6355642-B1 PSYCHOLOGICAL DISORDERS AND BRAIN DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2002-03-12 US disclosed
US-6086661-A (A)IMIDAZOLINIUM QUATERNARY SALT, (B) PHOSPHONIUM QUATERNARY SALT, OR (C) AN AMMONIUM QUATERNARY SALT; A PAPER-CURL REDUCING COMPOUND; DYE; STABILIZERS, BIOCIDE, WATER SOLUBLE SALT XEROX CORPORATION (US) 2000-07-11 US disclosed
EP-0673783-B1 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORP (US) 2000-07-05 EP disclosed
EP-0937715-A1 TETRAHYDROBENZINDOLE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1999-08-25 EP disclosed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP disclosed
US-5428038-A Administering for preventing or treating N-methyl-D-aspartate induced convulsions DR. WILLMAR SCHWABE GMBH & CO. (DE) 1995-06-27 US disclosed
US-5162322-A Anxiolytic agetns; humans, animals A. H. ROBBINS COMPANY, INCORPORATED (US) 1992-11-10 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 (4 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-20020107253-A1 Novel 4,5,-dihydroisoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 HTR1A 208/4885SLC6A2 806/4885SLC6A4 508/4885
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 HTR1A 721/4885SLC6A2 3298/4885SLC6A4 2292/4885
US-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 HTR1A 3276/4885SLC6A2 191/4885SLC6A4 202/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 HTR1A 116/4885SLC6A2 322/4885SLC6A4 430/4885

“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.