Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5144943

CSCC[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl

nearest known ligand 0.46

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 12)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.42
DPP4 known ✓ P27487 1/20 0.37
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
ARG1 P05089 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
DPP7 Q9UHL4 2/20 0.39
UBE2N P61088 1/20 0.35

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
SCHEMBL5143213 0.99 GAA (0.43) GAAGNAI3GNAO1GNAI1ARG1
Hydrochloric Acid SCHEMBL5141608 0.87 GNAI3 (0.44) GNAI3GNAO1GNAI1FNTAFNTB
SCHEMBL5144831 0.85 GNAI3 (0.42) GNAI3GNAO1GNAI1FNTAFNTB
Hydrochloric Acid SCHEMBL5142634 0.85 L3MBTL3 (0.40) GAAARG1MEN1KMT2AFNTA
SCHEMBL5142585 0.84 L3MBTL3 (0.41) GAAARG1MEN1KMT2AFNTA
Hydrochloric Acid SCHEMBL5142848 0.81 GNAI3 (0.47) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL5141641 0.79 GNAI3 (0.44) GNAI3GNAO1GNAI1MEN1KMT2A
Hydrochloric Acid SCHEMBL5146045 0.78 GNAI3 (0.44) GNAI3GNAO1GNAI1DPP7DPP4
SCHEMBL5141596 0.78 GNAI3 (0.44) GNAI3GNAO1GNAI1DPP7DPP4
Hydrochloric Acid SCHEMBL5145962 0.78 GNAI3 (0.42) GNAI3GNAO1GNAI1MEN1KMT2A

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-7297706-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2007-11-20 US disclosed
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS WILEY MICHAEL R 2007-03-29 US disclosed
US-7078415-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2006-07-18 US disclosed
EP-1455787-B1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS LILLY CO ELI (US) 2005-06-22 EP disclosed
US-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 US disclosed
EP-1455787-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049735-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-06-19 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-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders F2, F11, SERPINC1 GAA 874/4885DPP4 3902/4885GNAI3 760/4885
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 GAA 668/4885DPP4 3847/4885GNAI3 874/4885

“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.