Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2158135

CC1CNCCC1C(=O)O.Cl

nearest known ligand 0.59

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
GABRA5 known ✓ P31644 3/20 0.41
GABRB2 known ✓ P47870 3/20 0.41
GABRA1 known ✓ P14867 2/20 0.41
GABRA4 known ✓ P48169 2/20 0.41
GABRP known ✓ O00591 1/20 0.41
GABRD known ✓ O14764 1/20 0.41
GABRB1 known ✓ P18505 1/20 0.41
GABRG2 known ✓ P18507 1/20 0.41
GABRB3 known ✓ P28472 1/20 0.41
GABRA3 known ✓ P34903 1/20 0.41
GABRA2 known ✓ P47869 1/20 0.41
GABRE known ✓ P78334 1/20 0.41
GABRA6 known ✓ Q16445 1/20 0.41
GABRG1 known ✓ Q8N1C3 1/20 0.41
GABRG3 known ✓ Q99928 1/20 0.41
GABRQ known ✓ Q9UN88 1/20 0.41
SLC6A1 known ✓ P30531 4/20 0.41
SLC1A2 P43004 1/20 0.42
TSHR P16473 2/20 0.41
PMP22 Q01453 1/20 0.41

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 SCHEMBL2158140 1.00 SLC1A2 (0.42) SLC1A2GABRA5GABRB2TSHRGABRA1
Hydrochloric Acid SCHEMBL2158131 1.00 SLC1A2 (0.42) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL3027763 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL18307362 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL4009207 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL4001723 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL2312750 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL13439403 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL22863934 0.98 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
Hydrochloric Acid SCHEMBL25257749 0.83 GABRA5 (0.41) SLC1A2GABRA5GABRB2TSHRGABRA1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
EP-3496716-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
EP-3496715-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
WO-2021138298-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2021-07-08 WO disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
CN-106278999-B S1P regulator 比奥根MA公司 2019-10-25 CN disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 US disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 US disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
EP-2672823-A1 S1P MODULATING AGENTS Biogen Idec MA Inc. (US) 2013-12-18 EP disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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 (8 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A GABRA5 1189/4885GABRB2 1681/4885GABRA1 1101/4885
US-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 GABRA5 1792/4885GABRB2 1942/4885GABRA1 2012/4885
US-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 GABRA5 785/4885GABRB2 339/4885GABRA1 577/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 GABRA5 371/4885GABRB2 119/4885GABRA1 244/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 GABRA5 676/4885GABRB2 905/4885GABRA1 771/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 GABRA5 249/4885GABRB2 505/4885GABRA1 257/4885
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 GABRA5 204/4885GABRB2 236/4885GABRA1 290/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 GABRA5 249/4885GABRB2 505/4885GABRA1 257/4885

“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.