Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9064487

CCOCCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1.Cl

nearest known ligand 0.79

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 11)

geneUniProtsupporting neighboursconfidence
KCNA3 known ✓ P22001 2/20 0.72
OPRM1 known ✓ P35372 7/20 0.72
OPRD1 known ✓ P41143 6/20 0.72
OPRK1 known ✓ P41145 6/20 0.72
SLC6A4 known ✓ P31645 1/20 0.66
ADRA1A known ✓ P35348 1/20 0.66
KCNH2 known ✓ Q12809 1/20 0.66
SIGMAR1 known ✓ Q99720 2/20 0.60
SLC22A1 O15245 1/20 0.66
KDM4E B2RXH2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL9064841 0.99 KCNA3 (0.73) KCNA3OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL9064917 0.90 KCNA3 (0.57) KCNA3OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL9064512 0.88 OPRM1 (0.75) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL11708747 0.87 KCNA3 (0.80) KCNA3OPRM1OPRD1OPRK1SLC22A1
Etoxeridine SCHEMBL908077 0.85 OPRM1 (0.71) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL6197539 0.85 KCNA3 (0.77) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL11712840 0.84 OPRM1 (0.82) KCNA3OPRM1OPRD1OPRK1SLC22A1
Benzethidine SCHEMBL908032 0.84 KCNA3 (0.76) KCNA3OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7313939 0.84 KCNA3 (1.00) KCNA3OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL11603600 0.83 OPRM1 (0.79) KCNA3OPRM1OPRD1OPRK1SLC22A1

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
US-20220096452-A1 LOCAL ANESTHETIC FOR THE TREATMENT OF NEUROLOGICAL SYMPTOMS RESULTING FROM BRAIN DYSFUNCTIONS ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2022-03-31 US disclosed
EP-0506778-B1 SUBSTITUTED 4-PHENYL-4-PIPERIDINECARBOXAMIDES WITH BOTH LOCAL ANAESTHETIC AND ANALGESIC EFFECT AS WELL AS PROCESSES FOR THEIR PREPARATION ASTRA AB (SE) 1996-05-29 EP disclosed
US-5360805-A Substituted 4-phenyl-4-piperidinecarboxamides with both local anaesthetic and analgesic effect as well as processes for their preparation AKTIEBOLAGET ASTRA (SE) 1994-11-01 US disclosed
US-5227389-A SUBSTITUTED 4-PHENYL-4-PIPERIDINECARBOXAMIDES WITH BOTH LOCAL ANAESTHETIC AND ANALGESIC EFFECT AS WELL AS PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1993-07-13 US disclosed
WO-1991009845-A1 SUBSTITUTED 4-PHENYL-4-PIPERIDINECARBOXAMIDES WITH BOTH LOCAL ANAESTHETIC AND ANALGESIC EFFECT AS WELL AS PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1991-07-11 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 (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-20220096452-A1 LOCAL ANESTHETIC FOR THE TREATMENT OF NEUROLOGICAL SYMPTOMS RESULTING FROM BRAIN DYSFUNCTIONS FABP7, ALB, SLC1A2 KCNA3 142/4885OPRM1 304/4885OPRD1 634/4885

“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.