Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2268492

COc1ccc(C2CCNC2)cc1.Cl

nearest known ligand 0.64

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 16)

geneUniProtsupporting neighboursconfidence
HTR3A known ✓ P46098 2/20 0.58
HTR2C known ✓ P28335 2/20 0.53
MAOA known ✓ P21397 2/20 0.53
PDE4B known ✓ Q07343 1/20 0.52
HTR1A known ✓ P08908 1/20 0.48
HTR1D known ✓ P28221 1/20 0.48
HTR1B known ✓ P28222 1/20 0.48
HTR2A known ✓ P28223 1/20 0.48
HTR1E known ✓ P28566 1/20 0.48
HTR7 known ✓ P34969 1/20 0.48
HTR2B known ✓ P41595 1/20 0.48
HTR5A known ✓ P47898 1/20 0.48
HTR6 known ✓ P50406 1/20 0.48
MAOB known ✓ P27338 1/20 0.48
TDP1 Q9NUW8 1/20 0.50
KDM1A O60341 1/20 0.48

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
SCHEMBL3552712 0.98 HTR3A (0.59) HTR3AHTR2CMAOAPDE4BTDP1
SCHEMBL28488068 0.98 HTR3A (0.59) HTR3AHTR2CMAOAPDE4BTDP1
Hydrochloric Acid SCHEMBL568418 0.91 HTR2A (0.54) HTR3AHTR2CMAOAHTR2AHTR6
Hydrochloric Acid SCHEMBL16446233 0.90 CYP2D6 (0.51) HTR3AMAOAPDE4BTDP1HTR2A
SCHEMBL28301764 0.89 HTR2A (0.55) HTR3AHTR2CMAOAHTR2AHTR6
SCHEMBL2145393 0.89 HTR2A (0.55) HTR3AHTR2CMAOAHTR2AHTR6
Hydrochloric Acid SCHEMBL2800981 0.89 HTR2C (0.65) HTR3AHTR2CMAOATDP1KDM1A
SCHEMBL1015494 0.89 HTR3A (0.50) HTR3AHTR2CMAOAPDE4BHTR1A
SCHEMBL16874793 0.88 CYP2D6 (0.53) HTR3AMAOAPDE4BHTR2AHTR6
SCHEMBL239790 0.87 HTR2C (0.64) HTR3AHTR2CMAOATDP1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936488-B Novel compounds for the treatment of parasitic infections 葛兰素史克知识产权开发有限公司 2023-06-27 CN disclosed
US-11453657-B2 Compounds for the treatment of parasitic infections GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-27 US disclosed
EP-3743419-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-09-14 EP disclosed
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-18 US disclosed
EP-3743419-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-12-02 EP disclosed
CN-111936488-A Novel compounds for the treatment of parasitic infections 葛兰素史克知识产权开发有限公司 2020-11-13 CN disclosed
WO-2019145360-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-01 WO disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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 (3 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-11453657-B2 Compounds for the treatment of parasitic infections PIGO, SGMS2, ABCB11 HTR3A 4645/4885HTR2C 4693/4885MAOA 2701/4885
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS PIGO, ENPP2, THPO HTR3A 4719/4885HTR2C 4686/4885MAOA 3778/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 HTR3A 432/4885HTR2C 528/4885MAOA 841/4885

“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.