Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1723213

Cl.Cl.N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.53

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
HTR2A known ✓ P28223 2/20 0.48
ADRB1 known ✓ P08588 1/20 0.48
HTR1A known ✓ P08908 1/20 0.48
ADRA2A known ✓ P08913 1/20 0.48
SLC6A2 known ✓ P23975 1/20 0.48
HTR1D known ✓ P28221 1/20 0.48
HTR1B known ✓ P28222 1/20 0.48
HTR2C known ✓ P28335 1/20 0.48
HTR1E known ✓ P28566 1/20 0.48
SLC6A4 known ✓ P31645 1/20 0.48
HTR7 known ✓ P34969 1/20 0.48
HTR2B known ✓ P41595 1/20 0.48
HTR6 known ✓ P50406 1/20 0.48
SLC6A3 known ✓ Q01959 1/20 0.48
PRKD3 known ✓ O94806 1/20 0.45
FLT1 known ✓ P17948 1/20 0.45
KDR known ✓ P35968 1/20 0.45
PRKCQ known ✓ Q04759 1/20 0.45
PRKCG known ✓ P05129 1/20 0.45
KIT known ✓ P10721 1/20 0.45

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 SCHEMBL27542605 1.00 SSTR1 (0.53) SSTR1AKT1HTR2AADRB1HTR1A
Hydrochloric Acid SCHEMBL6723717 0.92 SSTR1 (0.62) SSTR1AKT1HTR2AADRB1HTR1A
Hydrochloric Acid SCHEMBL27472186 0.92 SSTR1 (0.62) SSTR1AKT1HTR2AADRB1HTR1A
SCHEMBL1928394 0.90 SSTR1 (0.63) SSTR1AKT1HTR2AADRB1HTR1A
SCHEMBL6430387 0.90 SSTR1 (0.63) SSTR1AKT1HTR2AADRB1HTR1A
SCHEMBL4244351 0.90 SSTR1 (0.63) SSTR1AKT1HTR2AADRB1HTR1A
Hydrochloric Acid SCHEMBL3019998 0.87 SSTR1 (0.52) SSTR1AKT1HTR2AADRB1HTR1A
SCHEMBL13244865 0.86 SSTR1 (0.53) SSTR1AKT1HTR2AADRB1HTR1A
SCHEMBL3012885 0.86 SSTR1 (0.53) SSTR1AKT1HTR2AADRB1HTR1A
Hexane SCHEMBL27589497 0.84 SSTR1 (0.56) SSTR1HTR2AADRB1HTR1AADRA2A

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-1377578-B1 BETA-CARBOLINE DERIVATIVES AND ITS PHARMACEUTICAL USE AGAINST DEPRESSION AND ANXIETY NOVARTIS AG (CH) 2011-07-20 EP disclosed
CN-1309721-C Beta-carboline derivatives and its pharmaceutical use against depression and anxiety NOVARTIS AG (CH) 2007-04-11 CN disclosed
US-6861430-B2 β-carboline derivatives and its pharmaceutical use against depression and anxiety NOVARTIS AG (CH) 2005-03-01 US disclosed
US-20040132735-A1 Beta-carboline derivatives and its pharmaceutical use aginst depression and anxiety NOVARTIS AG (CH) 2004-07-08 US disclosed
CN-1500090-A Beta-carboline derivative and antidepressant and anxiolytic drug application thereof ��˹��ŵ�� 2004-05-26 CN 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-20040132735-A1 Beta-carboline derivatives and its pharmaceutical use aginst depression and anxiety ADRB1, ADRB2, ADRA1B HTR2A 124/4885ADRB1 1/4885HTR1A 24/4885

“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.