Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4281200

CC(C)Oc1c(F)cc(C2=CC3(CCN(CC(=O)O)CC3)Oc3ccccc32)cc1F.Cl

nearest known ligand 0.47

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 5)

geneUniProtsupporting neighboursconfidence
OPRD1 known ✓ P41143 20/20 0.47
KCNH2 known ✓ Q12809 17/20 0.47
OPRK1 known ✓ P41145 4/20 0.40
OPRM1 known ✓ P35372 2/20 0.38
CYP2D6 P10635 12/20 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 SCHEMBL4278279 0.90 OPRD1 (0.49) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4276792 0.90 OPRD1 (0.47) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4275565 0.89 OPRD1 (0.52) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4278963 0.89 OPRD1 (0.49) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4269420 0.88 OPRD1 (0.44) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4278330 0.87 OPRD1 (0.48) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4270103 0.86 OPRD1 (0.47) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4270171 0.86 OPRD1 (0.45) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4275504 0.85 OPRD1 (0.48) OPRD1KCNH2CYP2D6OPRK1OPRM1
Hydrochloric Acid SCHEMBL4278373 0.85 OPRD1 (0.44) OPRD1KCNH2CYP2D6OPRK1OPRM1

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
US-7507824-B2 Spiro(2H-1benzopyran-2,4′-piperidine) derivates as glycine transport inhibitors N.V. ORGANON (NL) 2009-03-24 US disclosed
EP-1232160-B1 SPIRO(2H-1-BENZOPYRAN-2,4'-PIPERIDINE)DERIVATES AS GLYCINE TRANSPORT INHIBITORS ORGANON NV (NL) 2008-06-18 EP disclosed
US-20040029904-A1 Spiro(2H-1benzopyran-2,4'-piperidine) derivates as glycine transport inhibitors MERCK SHARP & DOHME B.V. (NL) 2004-02-12 US disclosed
US-6645973-B1 Heterocyclic amines such as 1-carboxymethyl-4-(4-chlorophenyl) spiro(2H-1-benzopyran-2,4'-piperidine)hydrochloride used for therapy of nervous system disorders; Alzheimer's, Parkinson's and Huntington's disease AKZO NOBEL (NL) 2003-11-11 US 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-20040029904-A1 Spiro(2H-1benzopyran-2,4'-piperidine) derivates as glycine transport inhibitors SLC6A7, SLC1A2, SLC6A1 OPRD1 504/4885KCNH2 277/4885OPRK1 620/4885

“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.