Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3883795

COc1cc2c(cc1OC)[C@H](c1ccccc1)N1CCNC[C@@H]1C2.Cl.Cl

nearest known ligand 0.52

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
CA2 known ✓ P00918 2/20 0.47
PDE4B known ✓ Q07343 1/20 0.46
PDE4D known ✓ Q08499 1/20 0.46
HTR2C known ✓ P28335 2/20 0.42
DRD1 known ✓ P21728 1/20 0.42
HTR2A known ✓ P28223 1/20 0.42
HTR2B known ✓ P41595 1/20 0.42
HTR6 known ✓ P50406 1/20 0.42
CHRNA7 known ✓ P36544 1/20 0.42
DPP4 known ✓ P27487 1/20 0.40
TRPV1 Q8NER1 1/20 0.48
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 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
Hydrochloric Acid SCHEMBL3874607 1.00 TRPV1 (0.48) TRPV1CA1CA2CA9CA14
SCHEMBL3872517 0.99 TRPV1 (0.49) TRPV1CA1CA2CA9CA14
SCHEMBL3873922 0.88 TRPV1 (0.51) TRPV1CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL3883231 0.85 MDM2 (0.42) TRPV1HTR2CHTR2AHTR2BHTR6
SCHEMBL3980738 0.84 MEN1 (0.49) TRPV1MEN1KMT2AALDH1A1HTR2C
SCHEMBL3879166 0.84 MDM2 (0.42) TRPV1HTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL3872232 0.81 TRPV1 (0.46) TRPV1CA1CA2CA9CA14
SCHEMBL6692817 0.79 HTR2C (0.45) MEN1KMT2AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3882718 0.79 TRPV1 (0.35) TRPV1CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL3875713 0.79 TRPV1 (0.35) TRPV1CA1CA2CA9CA14

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
US-7550475-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550476-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
EP-1424326-B1 FUSED-POLYCYCLIC COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-05-28 EP disclosed
US-20070004739-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-7153859-B2 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2006-12-26 US disclosed
US-20040204418-A1 Fused-polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2004-10-14 US disclosed
EP-1424326-A1 FUSED-POLYCYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-06-02 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 (2 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-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B CA2 58/4885PDE4B 2/4885PDE4D 9/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B CA2 64/4885PDE4B 2/4885PDE4D 9/4885

“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.