Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6048554

COc1cccc(-c2ccccc2CN(C)C)c1.Cl

nearest known ligand 0.57

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
HTR7 known ✓ P34969 3/20 0.51
SLC6A2 known ✓ P23975 5/20 0.48
SLC6A4 known ✓ P31645 5/20 0.48
SLC6A3 known ✓ Q01959 4/20 0.48
HTR1A known ✓ P08908 1/20 0.43
BACE1 P56817 1/20 0.57
GRM5 P41594 1/20 0.47
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2D6 P10635 6/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6048529 0.98 BACE1 (0.58) BACE1HTR7SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6048492 0.85 HTR2A (0.55) BACE1HTR7SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6048515 0.84 BACE1 (0.54) BACE1HTR7SLC6A2SLC6A4SLC6A3
SCHEMBL6048510 0.84 HTR2A (0.56) BACE1HTR7SLC6A4CYP1A2CYP2D6
SCHEMBL5885013 0.83 BACE1 (0.50) BACE1HTR7SLC6A2SLC6A4SLC6A3
SCHEMBL6048547 0.82 BACE1 (0.55) BACE1HTR7SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL12490805 0.81 MGAT2 (0.56) HTR7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28854331 0.80 HTR7 (0.51) HTR7CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8279410 0.80 MGAT2 (0.57) HTR7CYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL6048562 0.78 DPP4 (0.52) BACE1HTR7SLC6A2SLC6A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP disclosed
US-6710080-B2 ANALGESICS GRUENENTHAL GMBH (DE) 2004-03-23 US disclosed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 US disclosed
EP-1202953-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2002-05-08 EP disclosed
WO-2001010816-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2001-02-15 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 (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-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives LIPA, PKD1, PKD2 HTR7 501/4885SLC6A2 1499/4885SLC6A4 1586/4885

“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.