Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16702881

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1.Cl.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 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 known ✓ P27487 5/20 0.46
▸ OPRM1 known ✓ P35372 1/20 0.42
▸ OPRD1 known ✓ P41143 1/20 0.42
▸ KCNH2 known ✓ Q12809 1/20 0.40
▸ GAA known ✓ P10253 1/20 0.40
▸ ITGB3 known ✓ P05106 1/20 0.39
▸ ITGA2B known ✓ P08514 1/20 0.39
▸ ELANE P08246 3/20 0.48
▸ F2 P00734 3/20 0.41
▸ XIAP P98170 1/20 0.41
▸ MLX Q9UH92 1/20 0.41
▸ DPP8 Q6V1X1 3/20 0.40
▸ DPP3 Q9NY33 1/20 0.40
▸ PRSS1 P07477 1/20 0.39

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 SCHEMBL18094983 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL20731105 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL30814220 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL20859027 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL20853469 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL16703327 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL30814176 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL16703830 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL16703831 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL30814203 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564234-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2021-09-29 — — EP claimed
US-10815199-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2020-10-27 — — US claimed
CN-105683180-B NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2020-01-21 — — CN claimed
EP-3564234-A1 NMDA ANTAGONIST PRODRUGS AstraZeneca AB (SE) 2019-11-06 — — EP claimed
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-05-23 — — US claimed
EP-3066091-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-04-03 — — EP claimed
US-10207994-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2019-02-19 — — US claimed
US-9822075-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2017-11-21 — — US claimed
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2016-09-29 — — US claimed
US-12516023-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2026-01-06 — — US disclosed
EP-4001272-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2024-11-13 — — EP disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
EP-4001272-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2022-05-25 — — EP disclosed
EP-3564234-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2021-09-29 — — EP disclosed
US-10207994-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2019-02-19 — — US disclosed
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2018-02-08 — — US disclosed
US-9822075-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2017-11-21 — — US disclosed
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2016-09-29 — — US disclosed
EP-3066091-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2016-09-14 — — EP disclosed
WO-2015067923-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2015-05-14 — — 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 (5 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-10815199-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885
US-10207994-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885

“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.

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