Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3878376

Cl.O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2

nearest known ligand 0.98

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 2)

geneUniProtsupporting neighboursconfidence
ADRB3 known ✓ P13945 18/20 0.98
ADRB1 known ✓ P08588 6/20 0.98

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 SCHEMBL4639809 1.00 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3878377 1.00 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4665231 1.00 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4665229 1.00 ADRB3 (0.98) ADRB3ADRB1
SCHEMBL3873179 0.99 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL4640099 0.99 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL3873178 0.99 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6133410 0.96 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6604673 0.96 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6133412 0.96 ADRB3 (0.98) ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928448-B1 ASSOCIATION OF ß3 RECEPTOR AGONIST AND MONOAMINE REUPTAKE INHIBITORS, PHARMACEUTICAL COMPOSITION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2009-09-02 EP claimed
EP-1404641-B1 CRYSTALLINE FORM OF A PHENYLETHANOLAMINE, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SANOFI AVENTIS (FR) 2008-08-06 EP claimed
US-20080182899-A1 ASSOCIATION OF BETA3 RECEPTOR AGONIST AND MONOAMINE REUPTAKE INHIBITORS, PHARMACEUTICAL COMPOSITION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-07-31 US claimed
EP-1773316-A1 USE OF PHENYLETHANOLAMINOTETRALINES FOR PREPARING ANXIOLYTIC DRUGS Sanofi-Aventis (FR) 2007-04-18 EP claimed
US-6992211-B2 Crystalline form of phenylethanolamine, the preparation thereof and pharmaceutical compositions comprising the same SANOFI-AVENTIS (FR) 2006-01-31 US claimed
WO-2006005631-A1 USE OF PHENYLETHANOLAMINOTETRALINES FOR PREPARING ANXIOLYTIC DRUGS SANOFI-AVENTIS (FR) 2006-01-19 WO claimed
US-20040180953-A1 Crystalline form of phenylethanolamine, the preparation thereof and pharmaceutical compositions comprising the same SANOFI-AVENTIS (FR) 2004-09-16 US claimed
US-20080182899-A1 ASSOCIATION OF BETA3 RECEPTOR AGONIST AND MONOAMINE REUPTAKE INHIBITORS, PHARMACEUTICAL COMPOSITION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-07-31 US disclosed
US-6992211-B2 Crystalline form of phenylethanolamine, the preparation thereof and pharmaceutical compositions comprising the same SANOFI-AVENTIS (FR) 2006-01-31 US disclosed
US-6992211-B2 Crystalline form of phenylethanolamine, the preparation thereof and pharmaceutical compositions comprising the same SANOFI-AVENTIS (FR) 2006-01-31 US disclosed
US-20040180953-A1 Crystalline form of phenylethanolamine, the preparation thereof and pharmaceutical compositions comprising the same SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
US-20040180953-A1 Crystalline form of phenylethanolamine, the preparation thereof and pharmaceutical compositions comprising the same SANOFI-AVENTIS (FR) 2004-09-16 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-20080182899-A1 ASSOCIATION OF BETA3 RECEPTOR AGONIST AND MONOAMINE REUPTAKE INHIBITORS, PHARMACEUTICAL COMPOSITION AND THERAPEUTIC USE THEREOF ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885

“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.