Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3277895

CCN1CCC(N)CC1.Cl

nearest known ligand 0.57

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
HSD11B1 known ✓ P28845 1/20 0.35
HRH3 known ✓ Q9Y5N1 3/20 0.34
GAA known ✓ P10253 1/20 0.33
HRH2 known ✓ P25021 1/20 0.33
HRH1 known ✓ P35367 1/20 0.33
GNAI3 P08754 2/20 0.57
GNAO1 P09471 2/20 0.57
GNAI1 P63096 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.50
SPHK1 Q9NYA1 1/20 0.41
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL23247778 1.00 GNAI3 (0.57) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
SCHEMBL684220 0.97
Dimethylamine SCHEMBL6945951 0.90 GNAI3 (0.48) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
SCHEMBL10271086 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
SCHEMBL25748411 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL3264620 0.87 GNAI3 (0.47) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
Diethylamine SCHEMBL6945162 0.86 GNAI3 (0.46) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL2430286 0.85
Hydrochloric Acid SCHEMBL2551337 0.85 GNAI3 (0.48) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL2551336 0.85 GNAI3 (0.48) GNAI3GNAO1GNAI1SMN1; SMN2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227333-B2 Inhibition of OLIG2 activity Curtana Pharmaceuticals, Inc. (US) 2019-03-12 US disclosed
US-20160237069-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. 2016-08-18 US disclosed
US-7700768-B2 Compounds GLAXOSMITHKLINE LLC (US) 2010-04-20 US disclosed
US-7629462-B2 Tetrasubstituted pyrimidine compounds as chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20090048442-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070238743-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-10-11 US disclosed
EP-1842851-A2 Novel compounds Smithkline Beecham Corporation (US) 2007-10-10 EP disclosed
US-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-07-19 US disclosed
US-7235551-B2 1,5-disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases SMITHKLINE BEECHAM CORPORATION (US) 2007-06-26 US disclosed
EP-1265900-B1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO 4,5-D|PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2007-05-16 EP disclosed
US-20030100756-A1 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases GLAXOSMITHKLINE LLC 2003-05-29 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 (6 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-20030100756-A1 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases MAPKAPK2, MAPK4, MAP4K2 HSD11B1 2984/4885HRH3 3279/4885GAA 3859/4885
US-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP HSD11B1 2638/4885HRH3 3785/4885GAA 3611/4885
US-10227333-B2 Inhibition of OLIG2 activity GLI2, ING2, GMFG HSD11B1 3938/4885HRH3 4049/4885GAA 2405/4885
US-20070238743-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP HSD11B1 2638/4885HRH3 3785/4885GAA 3611/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP HSD11B1 3910/4885HRH3 3639/4885GAA 4619/4885
US-20160237069-A1 INHIBITION OF OLIG2 ACTIVITY GLI2, ING2, GMFG HSD11B1 3938/4885HRH3 4049/4885GAA 2405/4885

“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.