Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3948434

CC(=O)N[C@H]1CCNC1.Cl

nearest known ligand 0.48

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
KCNH2 known ✓ Q12809 1/20 0.45
OPRK1 known ✓ P41145 1/20 0.38
DRD4 known ✓ P21917 1/20 0.36
PARP1 known ✓ P09874 1/20 0.35
SLC6A1 known ✓ P30531 1/20 0.35
GABRA5 known ✓ P31644 1/20 0.35
GABRB2 known ✓ P47870 1/20 0.35
EPHX1 P07099 3/20 0.48
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
KDM1A O60341 1/20 0.38
MAPK1 P28482 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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 SCHEMBL1898155 1.00 EPHX1 (0.48) EPHX1ATMKCNH2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22655490 1.00 EPHX1 (0.48) EPHX1ATMKCNH2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28300547 1.00 EPHX1 (0.48) EPHX1ATMKCNH2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL30998361 1.00 EPHX1 (0.48) EPHX1ATMKCNH2KDM4EALDH1A1
SCHEMBL39851 0.98
SCHEMBL39918 0.98
SCHEMBL39850 0.98
Hydrochloric Acid SCHEMBL30636640 0.88 MAPK1 (0.49) EPHX1ATMKDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1523932 0.87 EPHX1 (0.64) EPHX1ATMKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL27873710 0.87 EPHX1 (0.64) EPHX1ATMKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417635-B Pyrazolopyrimidines with anti-Respiratory Syncytial Virus (RSV) activity 爱尔兰詹森科学公司 2024-01-02 CN disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
CN-108368090-B Compounds as immunomodulators 百时美施贵宝公司 2022-04-12 CN disclosed
EP-3717486-B1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-23 EP disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
CN-111417635-A Pyrazolopyrimidines having activity against Respiratory Syncytial Virus (RSV) 爱尔兰詹森科学公司 2020-07-14 CN disclosed
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
CN-108368090-A Compounds as Immunomodulators 百时美施贵宝公司 2018-08-03 CN disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 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 (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-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) RRP15, MAVS, ACE KCNH2 1988/4885OPRK1 4588/4885DRD4 2937/4885
US-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 KCNH2 4856/4885OPRK1 3135/4885DRD4 4175/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE KCNH2 1988/4885OPRK1 4588/4885DRD4 2937/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 KCNH2 4856/4885OPRK1 3135/4885DRD4 4175/4885

“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.