Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16704300

Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.54

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
▸ DPP4 known ✓ P27487 4/20 0.54
▸ BCHE known ✓ P06276 1/20 0.42
▸ TACR1 known ✓ P25103 2/20 0.42
▸ DPP3 Q9NY33 5/20 0.47
▸ SNCA P37840 1/20 0.44
▸ KRAS P01116 1/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ SORT1 Q99523 1/20 0.42

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 SCHEMBL28888416 1.00 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
Hydrochloric Acid SCHEMBL18094977 1.00 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
Hydrochloric Acid SCHEMBL16704302 1.00 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
SCHEMBL29613669 0.99 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
SCHEMBL20853453 0.99 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
SCHEMBL16704179 0.99 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
SCHEMBL16704181 0.99 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
SCHEMBL16703980 0.89 DPP3 (0.49) DPP4DPP3SNCABCHETACR1
Hydrochloric Acid SCHEMBL18094974 0.85 DPP4 (0.53) DPP4
Hydrochloric Acid SCHEMBL16703248 0.85 DPP4 (0.53) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20210040039-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2021-02-11 — — US disclosed
US-10815199-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2020-10-27 — — US disclosed
CN-111187202-A NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2020-05-22 — — CN disclosed
CN-105683180-B NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2020-01-21 — — CN disclosed
EP-3564234-A1 NMDA ANTAGONIST PRODRUGS AstraZeneca AB (SE) 2019-11-06 — — EP disclosed
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-05-23 — — US disclosed
EP-3066091-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-04-03 — — 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 (6 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-20210040039-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885BCHE 1658/4885TACR1 304/4885
US-10815199-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A DPP4 1168/4885BCHE 1658/4885TACR1 304/4885
US-10207994-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A DPP4 1168/4885BCHE 1658/4885TACR1 304/4885
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885BCHE 1658/4885TACR1 304/4885
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885BCHE 1658/4885TACR1 304/4885
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885BCHE 1658/4885TACR1 304/4885

“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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