Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17560597

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

nearest known ligand 0.45

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 0.42
▸ OPRK1 known ✓ P41145 1/20 0.42
▸ DRD4 known ✓ P21917 1/20 0.40
▸ HTR4 known ✓ Q13639 1/20 0.34
▸ PARP1 known ✓ P09874 1/20 0.34
▸ SLC6A1 known ✓ P30531 1/20 0.33
▸ GABRA5 known ✓ P31644 1/20 0.33
▸ GABRB2 known ✓ P47870 1/20 0.33
▸ EPHX1 P07099 3/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ TSHR P16473 1/20 0.34
▸ PBK Q96KB5 1/20 0.34
▸ FPR3 P25089 2/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ SLC6A12 P48065 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 SCHEMBL17560406 1.00 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560408 1.00 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
SCHEMBL1778461 0.98 EPHX1 (0.47) EPHX1KCNH2MAPK1OPRK1POLB
SCHEMBL14222420 0.98 EPHX1 (0.47) EPHX1KCNH2MAPK1OPRK1POLB
SCHEMBL5320954 0.98 EPHX1 (0.47) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560419 0.89 MAPK1 (0.54) EPHX1MAPK1OPRK1TSHRPARP1
Hydrochloric Acid SCHEMBL17560443 0.89 MAPK1 (0.54) EPHX1MAPK1OPRK1TSHRPARP1
Hydrochloric Acid SCHEMBL2899466 0.89 MAPK1 (0.54) EPHX1MAPK1OPRK1TSHRPARP1
Hydrochloric Acid SCHEMBL2014760 0.88 EPHX1 (0.59) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL965984 0.87 MAPK1 (0.55) EPHX1MAPK1OPRK1TSHRPARP1

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 9 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
EP-3717486-B1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-23 — — EP disclosed
CN-113563246-A Substituted aza five-membered ring derivative and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 — — CN disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 — — 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
CN-105399698-B Aromatic heterocyclic derivatives and its application in drug 广东东阳光药业有限公司 2018-08-10 — — CN disclosed
CN-105399698-A Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines GUANGDONG HEC PHARMACEUTICAL 2016-03-16 — — CN disclosed
WO-2016034134-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-10 — — 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 (2 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-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE KCNH2 1988/4885OPRK1 4588/4885DRD4 2937/4885

“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.

Send feedback