Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17645636

Cc1ccc(C(=O)C(C)N2CCCC2)cc1.Cl

nearest known ligand 0.63

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
▸ SLC6A3 known ✓ Q01959 12/20 0.63
▸ SLC6A2 known ✓ P23975 11/20 0.63
▸ CHRNB4 known ✓ P30926 6/20 0.63
▸ CHRNA3 known ✓ P32297 6/20 0.63
▸ SLC6A4 known ✓ P31645 5/20 0.63
▸ CHRNA1 known ✓ P02708 4/20 0.63
▸ CHRNG known ✓ P07510 4/20 0.63
▸ CHRNB1 known ✓ P11230 4/20 0.63
▸ CHRND known ✓ Q07001 4/20 0.63
▸ GAA known ✓ P10253 1/20 0.57
▸ CHRM2 known ✓ P08172 1/20 0.56
▸ ADRA2B known ✓ P18089 1/20 0.56
▸ DRD3 known ✓ P35462 1/20 0.56
▸ SIGMAR1 known ✓ Q99720 1/20 0.56
▸ HRH3 known ✓ Q9Y5N1 1/20 0.56
▸ MAOB known ✓ P27338 1/20 0.49
▸ CHRNB2 P17787 5/20 0.63
▸ CHRNA4 P43681 5/20 0.63
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 1/20 0.59

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
SCHEMBL17644179 0.98 SLC6A3 (0.65) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
SCHEMBL895863 0.98 SLC6A3 (0.65) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
Hydrochloric Acid SCHEMBL9596538 0.85 SLC6A3 (0.60) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
Hydrochloric Acid SCHEMBL28057449 0.84 SLC6A2 (0.65) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
Hydrochloric Acid SCHEMBL22614730 0.84 SLC6A2 (0.65) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
SCHEMBL7946750 0.84 SLC6A3 (0.60) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
Hydrochloric Acid SCHEMBL9797234 0.83 SLC6A3 (0.58) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
Hydrochloric Acid SCHEMBL9796810 0.83 SLC6A3 (0.58) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
SCHEMBL5813245 0.83 RAB9A (0.53) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4
SCHEMBL9597385 0.83 SLC6A3 (0.61) SLC6A3SLC6A2CHRNB4CHRNA3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9671415-B2 Immunoassay for pyrrolidinophenones RANDOX LABORATORIES LIMITED (GB) 2017-06-06 — — US disclosed
US-20160097783-A1 IMMUNOASSAY FOR PYRROLIDINOPHENONES NORTHERN BANK LIMITED (IE) 2016-04-07 — — 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-20160097783-A1 IMMUNOASSAY FOR PYRROLIDINOPHENONES CYP2D6, CYP2B6, CYP3A43 SLC6A3 690/4885SLC6A2 1912/4885CHRNB4 4520/4885

“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.

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