Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1025464

CCC(C)CC(N)C(=O)O.Cl

nearest known ligand 0.60

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
SLC7A5 Q01650 1/20 0.60
SLC1A2 P43004 7/20 0.59
SLC1A1 P43005 7/20 0.59
SLC1A3 P43003 6/20 0.59
GRIK1 P39086 10/20 0.50
GRIK2 Q13002 8/20 0.50
GRIA4 P48058 3/20 0.44
GRIK3 Q13003 3/20 0.44
GRIK5 Q16478 3/20 0.44
GGT1 P19440 2/20 0.43
GRIA2 P42262 2/20 0.42
GRIA1 P42261 1/20 0.42

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 SCHEMBL22749240 1.00 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL3733353 0.98 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL2172351 0.98 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL14302595 0.98 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL1512965 0.98 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL2295882 0.98 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL8634662 0.98 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL21578367 0.93 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL26471760 0.93 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Hydrochloric Acid SCHEMBL5612600 0.83 SLC1A2 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336964-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-26 US disclosed
US-9181255-B2 Fused heteroaromatic pyrrolidinones as SYK inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
CN-103502242-A Isoindolinone derivatives HOFFMANN LA ROCHE 2014-01-08 CN disclosed
US-20130245031-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2013-09-19 US disclosed
US-8440689-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-14 US disclosed
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 US disclosed
US-20110045989-A1 SELECTIVE ENRICHMENT OF N-TERMINALLY MODIFIED PEPTIDES FROM COMPLEX SAMPLES KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2011-02-24 US disclosed
US-20110028330-A1 COMPOUNDS AND METHODS FOR THE LABELLING AND AFFINITY-SELECTION OF PROTEINS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2011-02-03 US disclosed
EP-2276777-A2 SELECTIVE ENRICHMENT OF N-TERMINALLY MODIFIED PEPTIDES FROM COMPLEX SAMPLES Koninklijke Philips Electronics N.V. (NL) 2011-01-26 EP disclosed
EP-2274621-A2 COMPOUNDS AND METHODS FOR THE LABELING AND AFFINITY-SELECTION OF PROTEINS Koninklijke Philips Electronics N.V. (NL) 2011-01-19 EP disclosed
WO-2009125316-A2 COMPOUNDS AND METHODS FOR THE LABELING AND AFFINITY-SELECTION OF PROTEINACEOUS MOLECULES KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2009-10-15 WO disclosed
WO-2009125318-A2 SELECTIVE ENRICHMENT OF N-TERMINALLY MODIFIED PEPTIDES FROM COMPLEX SAMPLES KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2009-10-15 WO disclosed
EP-2108957-A1 Compounds and methods for the labelling and affinity-selection of proteins Koninklijke Philips Electronics N.V. (NL) 2009-10-14 EP disclosed
EP-2108654-A1 Selective enrichment of n-terminally modified peptides from complex samples Koninklijke Philips Electronics N.V. (NL) 2009-10-14 EP 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-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS SYK, BTK, LYN SLC7A5 4039/4885SLC1A2 4714/4885SLC1A1 4372/4885
US-20130245031-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN SLC7A5 3852/4885SLC1A2 4535/4885SLC1A1 4034/4885
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN SLC7A5 3852/4885SLC1A2 4535/4885SLC1A1 4034/4885
US-20150336964-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN SLC7A5 3852/4885SLC1A2 4535/4885SLC1A1 4034/4885

“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.