Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1582269

Cl.Cl.Cl.Fc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)cc1

nearest known ligand 0.50

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
ADRA1D known ✓ P25100 1/20 0.41
HTR1A known ✓ P08908 3/20 0.41
DRD2 known ✓ P14416 1/20 0.41
DRD4 known ✓ P21917 1/20 0.41
DRD3 known ✓ P35462 1/20 0.41
GLRA3 O75311 2/20 0.50
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
GLRB P48167 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCHR1 Q99705 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL1582253 1.00 GLRA3 (0.50) GLRA3RAB9AMEN1NPC1KMT2A
SCHEMBL1583365 0.99 GLRA3 (0.51) GLRA3RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL1582650 0.92 GLRA3 (0.46) GLRA3RAB9AMEN1NPC1KMT2A
SCHEMBL1583360 0.91 GLRA3 (0.47) GLRA3RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL1582764 0.88 GLRA3 (0.45) GLRA3RAB9AMEN1NPC1KMT2A
SCHEMBL1583519 0.87 GLRA3 (0.45) GLRA3RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL1582889 0.87 MEN1 (0.51) MEN1KMT2AKDM4ELMNAADRA1D
Hydrochloric Acid SCHEMBL1582547 0.87 MEN1 (0.51) MEN1KMT2AKDM4ELMNAADRA1D
SCHEMBL1582986 0.86 MEN1 (0.52) MEN1KMT2AKDM4ELMNAADRA1D
Hydrochloric Acid SCHEMBL1582901 0.85 ADRA1D (0.45) KMT2AMAPTKDM4EADRA1DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292592-B1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2011-04-20 EP claimed
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 US claimed
US-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2004-01-29 US claimed
EP-1292592-A1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GmbH (DE) 2003-03-19 EP claimed
WO-2001098293-A1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2001-12-27 WO claimed
EP-1292592-B1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2011-04-20 EP disclosed
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 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 (1 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-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals HTR4, CNR1, CNR2 ADRA1D 108/4885HTR1A 17/4885DRD2 56/4885

“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.