Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1277930

CC(C)CCNC(=O)[C@@H](N)CC(C)C.Cl

nearest known ligand 0.66

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
RRM1 known ✓ P23921 1/20 0.41
ANPEP P15144 5/20 0.66
RNPEP Q9H4A4 4/20 0.66
DNPEP Q9ULA0 4/20 0.66
SLC7A5 Q01650 1/20 0.47
DPP7 Q9UHL4 2/20 0.44
LAP3 P28838 3/20 0.44
CAPN9 O14815 1/20 0.43
CAPN1 P07384 1/20 0.43
CTSB P07858 1/20 0.43
MAPK1 P28482 1/20 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
SCHEMBL1277891 0.98 ANPEP (0.68) ANPEPRNPEPDNPEPSLC7A5DPP7
SCHEMBL1277892 0.98 ANPEP (0.68) ANPEPRNPEPDNPEPSLC7A5DPP7
SCHEMBL14067667 0.98 ANPEP (0.68) ANPEPRNPEPDNPEPSLC7A5DPP7
Bromide SCHEMBL7305048 0.96 ANPEP (0.66) ANPEPRNPEPDNPEPSLC7A5DPP7
SCHEMBL1769602 0.85 SLC7A5 (0.59) ANPEPRNPEPDNPEPSLC7A5DPP7
SCHEMBL1769031 0.85 SLC7A5 (0.59) ANPEPRNPEPDNPEPSLC7A5DPP7
SCHEMBL1768387 0.85 SLC7A5 (0.59) ANPEPRNPEPDNPEPSLC7A5DPP7
SCHEMBL1769033 0.85 SLC7A5 (0.59) ANPEPRNPEPDNPEPSLC7A5DPP7
Bromide SCHEMBL7287179 0.84 ANPEP (0.57) ANPEPRNPEPDNPEPSLC7A5LAP3
SCHEMBL9113004 0.84 DPP7 (0.52) ANPEPRNPEPDNPEPSLC7A5DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166543-A1 COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER AMERICAN LIFE SCIENCE PHARMACEUTICALS INC (US) 2017-06-15 US disclosed
WO-2015117094-A1 COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER AMERICAN LIFE SCIENCE PHARMACEUTICALS, INC. (US) 2015-08-06 WO disclosed
US-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-12 US disclosed
US-7968519-B2 Amido-containing metal complexes; sonication; for self-assembling polypeptides; vesicles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-20080125581-A1 Methods and compositions for controlled polypeptide synthesis NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2008-05-29 US disclosed
US-7329727-B2 Methods and compositions for controlled polypeptide synthesis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-12 US disclosed
US-20040132958-A1 Combining alpha -amino acid-N-carboxyanhydride monomer with an initiator molecule comprising an amido-containing metallacycle for initiating polymerization NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2004-07-08 US disclosed
US-6686446-B2 INITIATING THE POLYMERIZATION OF AMINOACID-N-CARBOXYANHYDRIDE (NCA) MONOMER BY COMBINING THE MONOMER WITH AN AMIDO-CONTAINING METALLACYCLE, FOR MAKING SELF ASSEMBLING AMPHIPHILIC BLOCK COPOLYPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-03 US disclosed
US-6680365-B1 REACTING AMINO ACID N-CARBOXYANHYDRIDE MONOMER WITH INITIATOR COMPLEX IN SOLVENT; MAKING MIXTURE OF BLOCK CO-POLYPEPTIDE AND SOLVENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-20 US disclosed
US-6632922-B1 Mixing allyloxycarbonyl-amino acid amide and transition metal-Lewis base ligand; complexing, cyclization, metallization THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-10-14 US disclosed
EP-1189928-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-03-27 EP disclosed
US-20020032309-A1 Methods and compositions for controlled polypeptide synthesis NATIONAL SCIENCE FOUNDATION 2002-03-14 US disclosed
WO-2001094379-A2 METHODS AND COMPOSITIONS FOR CONTROLLED SYNTHESIS OF AMINO ACID POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-12-13 WO disclosed
WO-2000068252-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-11-16 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 (4 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-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS NGLY1, LNPEP, NPPA RRM1 2326/4885ANPEP 4/4885RNPEP 16/4885
US-20080125581-A1 Methods and compositions for controlled polypeptide synthesis NGLY1, LNPEP, NPPA RRM1 2326/4885ANPEP 4/4885RNPEP 16/4885
US-20170166543-A1 COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER PTMS, LTA, LPXN RRM1 4373/4885ANPEP 21/4885RNPEP 539/4885
US-20020032309-A1 Methods and compositions for controlled polypeptide synthesis NGLY1, LNPEP, NPPA RRM1 2326/4885ANPEP 4/4885RNPEP 16/4885

“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.