Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14360367

COc1ccc(C[C@@H](N)C(=O)N2CC(OCC3CC3)(c3ccccc3C)C2)cc1.Cl

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 2/20 0.43
HDAC8 known ✓ Q9BY41 4/20 0.41
GRIN2B known ✓ Q13224 1/20 0.38
OPRK1 known ✓ P41145 1/20 0.38
HRH2 known ✓ P25021 1/20 0.37
HRH1 known ✓ P35367 1/20 0.37
MC1R Q01726 7/20 0.48
MC4R P32245 6/20 0.48
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
AKT3 Q9Y243 2/20 0.47
FAP Q12884 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43

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 SCHEMBL14360370 1.00 MC1R (0.48) MC1RMC4RAKT1AKT2AKT3
Hydrochloric Acid SCHEMBL1310496 0.86 MC1R (0.60) MC1RMC4RAKT1AKT2AKT3
Hydrochloric Acid SCHEMBL1310494 0.86 MC1R (0.60) MC1RMC4RAKT1AKT2AKT3
SCHEMBL14360597 0.86 MC1R (0.58) MC1RMC4RGRIN2B
SCHEMBL1310763 0.84 MC1R (0.48) MC1RMC4RAKT1AKT2AKT3
SCHEMBL1310765 0.84 MC1R (0.48) MC1RMC4RAKT1AKT2AKT3
Trifluoroacetic Acid SCHEMBL14360092 0.81 MC1R (0.48) MC1RMC4RAKT1AKT2AKT3
Trifluoroacetic Acid SCHEMBL1310217 0.81 MC1R (0.57) MC1RMC4RAKT1AKT2AKT3
Trifluoroacetic Acid SCHEMBL1312510 0.79 MC1R (0.55) MC1RMC4RAKT1AKT2AKT3
SCHEMBL2154187 0.79 MC1R (0.52) MC1RMC4RHDAC8OPRK1HRH2

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-9981952-B2 Oxazetidine derivatives, process for preparing them and use in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-05-29 US disclosed
EP-2726478-B1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2017-01-11 EP disclosed
US-20160237065-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-08-18 US disclosed
US-9353083-B2 Oxazetidine derivatives, process for preparing them and use in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-05-31 US disclosed
US-20140228342-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-08-14 US disclosed
EP-2726478-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2014-05-07 EP disclosed
WO-2013001030-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 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 (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-20160237065-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE IN HUMAN MEDICINE AND IN COSMETICS MC1R, MCHR1, MCHR2 DPP4 4650/4885HDAC8 1539/4885GRIN2B 737/4885
US-20140228342-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE IN HUMAN MEDICINE AND IN COSMETICS MC1R, MCHR1, MCHR2 DPP4 4502/4885HDAC8 1248/4885GRIN2B 699/4885

“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.