Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19205779

C[C@H](N)c1ccc(F)cc1Cl.Cl

nearest known ligand 0.62

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 20)

geneUniProtsupporting neighboursconfidence
GLA known ✓ P06280 1/20 0.46
DPP4 known ✓ P27487 1/20 0.39
ESR1 known ✓ P03372 1/20 0.38
HTR2A known ✓ P28223 2/20 0.37
SLC6A4 known ✓ P31645 2/20 0.37
HTR2C known ✓ P28335 1/20 0.37
HTR2B known ✓ P41595 1/20 0.37
KCNH2 known ✓ Q12809 1/20 0.35
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
PNMT P11086 1/20 0.42
PDE2A O00408 2/20 0.42
DPP7 Q9UHL4 1/20 0.39
MDM2 Q00987 3/20 0.38

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 SCHEMBL18448148 1.00 LMNA (0.62) LMNATP53HTTALDH1A1GLA
Hydrochloric Acid SCHEMBL30542087 1.00 LMNA (0.62) LMNATP53HTTALDH1A1GLA
SCHEMBL22855048 0.98 LMNA (0.64) LMNATP53HTTALDH1A1GLA
SCHEMBL17767182 0.98 LMNA (0.64) LMNATP53HTTALDH1A1GLA
SCHEMBL6816256 0.98 LMNA (0.64) LMNATP53HTTALDH1A1GLA
SCHEMBL31521500 0.83 LMNA (0.50) LMNATP53HTTALDH1A1GLA
SCHEMBL29167805 0.83 LMNA (0.50) LMNATP53HTTALDH1A1GLA
SCHEMBL420958 0.81 LMNA (0.42) LMNATP53HTTPDE2ADPP4
Hydrochloric Acid SCHEMBL7787886 0.79 PDE2A (0.58) LMNATP53HTTALDH1A1GLA
Hydrochloric Acid SCHEMBL1889233 0.79 PDE2A (0.58) LMNATP53HTTALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165262-A1 THIENO-NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
CN-116693545-A Thieno nitrogen-containing heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 上海科技大学 2023-09-05 CN disclosed
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 US disclosed
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 US disclosed
US-20180346450-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 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 (7 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC GLA 1347/4885DPP4 4507/4885ESR1 852/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC GLA 1347/4885DPP4 4507/4885ESR1 852/4885
US-20180346450-A1 TRK INHIBITION NTRK1, NTRK3, NTRK2 GLA 3976/4885DPP4 3573/4885ESR1 2508/4885
US-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 GLA 3976/4885DPP4 3573/4885ESR1 2508/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC GLA 1783/4885DPP4 4481/4885ESR1 938/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC GLA 2136/4885DPP4 4676/4885ESR1 1126/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC GLA 1783/4885DPP4 4481/4885ESR1 938/4885

“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.