Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1133376

CCN(CC)CCOCC(O)c1cccc2ccccc12.Cl

nearest known ligand 0.45

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
HTR1B known ✓ P28222 2/20 0.43
HTR1D known ✓ P28221 1/20 0.43
SCN5A known ✓ Q14524 1/20 0.41
SCN9A known ✓ Q15858 1/20 0.41
SCN10A known ✓ Q9Y5Y9 1/20 0.41
CHRM2 known ✓ P08172 1/20 0.37
CHRM1 known ✓ P11229 1/20 0.37
DRD1 known ✓ P21728 1/20 0.37
HTR2A known ✓ P28223 1/20 0.37
SLC6A4 known ✓ P31645 1/20 0.37
OPRM1 known ✓ P35372 1/20 0.37
DRD3 known ✓ P35462 1/20 0.37
KCNH2 known ✓ Q12809 1/20 0.37
CDYL Q9Y232 1/20 0.45
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 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 SCHEMBL8482513 0.86 HTR1B (0.49) HTR1BKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL8872829 0.85 HTR1B (0.50) HTR1BKDM4EALDH1A1TSHRMEN1
SCHEMBL9770334 0.80 CYP2C19 (0.48) KDM4ECYP1A2ALDH1A1TSHRMEN1
SCHEMBL8481171 0.79 KMT2A (0.43) HTR1BHTR1DKDM4ECYP1A2ALDH1A1
SCHEMBL7931403 0.78 CNR1 (0.44) KDM4ETSHRKMT2A
Hydrochloric Acid SCHEMBL8480337 0.78 SLC6A4 (0.49) HTR1BHTR1DTSHRLMNASLC6A4
SCHEMBL8481811 0.77 HTR1B (0.46) HTR1BKDM4ECYP1A2ALDH1A1TSHR
SCHEMBL8673517 0.77 CYP2C19 (0.46) HTR1BKDM4ECYP1A2CYP2D6SMN1; SMN2
SCHEMBL9326907 0.76 LMNA (0.55) KDM4ECYP1A2CYP2D6SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL8480520 0.73 MEN1 (0.54) KDM4EALDH1A1TSHRMEN1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287160-B1 Benzothiophene oxide derivative and salt thereof TOYAMA CHEMICAL CO LTD (JP) 2014-05-07 EP disclosed
US-8026232-B2 Benzothiophene oxide derivative and salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-09-27 US disclosed
US-20110077413-A1 NOVEL BENZOTHIOPHENE OXIDE DERIVATIVE AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2287160-A1 NOVEL BENZOTHIOPHENE OXIDE DERIVATIVE AND SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-02-23 EP 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-20110077413-A1 NOVEL BENZOTHIOPHENE OXIDE DERIVATIVE AND SALT THEREOF TH, EBPL, IL4I1 HTR1B 3758/4885HTR1D 3727/4885SCN5A 1070/4885

“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.