Hydrochloric Acid

Hydrochloric Acid

SCHEMBL22150784

Cl.NC(Cc1ccc(-c2noc(-c3ccccc3)n2)cc1)C(=O)O

nearest known ligand 0.82

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 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.53
▸ TPH1 P17752 18/20 0.82
▸ NR1H4 Q96RI1 1/20 0.54
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.53

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 SCHEMBL22150783 1.00 TPH1 (0.82) TPH1NR1H4ALPIPKMPTGS1
SCHEMBL20777116 0.99 TPH1 (0.81) TPH1NR1H4ALPIPKMPTGS1
SCHEMBL20777117 0.99 TPH1 (0.81) TPH1NR1H4ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL29810124 0.94 TPH1 (0.77) TPH1ALPIPKMPTGS1XIAP
SCHEMBL29810105 0.93 TPH1 (0.76) TPH1NR1H4ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL29810187 0.91 TPH1 (0.80) TPH1NR1H4
Hydrochloric Acid SCHEMBL29810106 0.91 TPH1 (0.80) TPH1SLC7A5
Hydrochloric Acid SCHEMBL22150740 0.90 TPH1 (1.00) TPH1
Hydrochloric Acid SCHEMBL22150737 0.90 TPH1 (1.00) TPH1
Hydrochloric Acid SCHEMBL29810137 0.90 TPH1 (0.78) TPH1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315746-B Tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2022-11-29 — — CN claimed
US-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLGY (KR) 2022-08-09 — — US claimed
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-05-27 — — US claimed
EP-3674303-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Gwangju Institute of Science and Technology (KR) 2020-07-01 — — EP claimed
CN-111315746-A Novel tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2020-06-19 — — CN claimed
CN-111315746-B Tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2022-11-29 — — CN disclosed
US-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLGY (KR) 2022-08-09 — — US disclosed
EP-3674303-B1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME GWANGJU INST SCIENCE & TECH (KR) 2022-07-20 — — EP disclosed
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-05-27 — — US disclosed
EP-3674303-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Gwangju Institute of Science and Technology (KR) 2020-07-01 — — EP disclosed
CN-111315746-A Novel tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2020-06-19 — — CN 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-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same TPH1, TPH2, IDO1 PTGS1 131/4885TPH1 1/4885NR1H4 196/4885
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME TPH1, TPH2, IDO1 PTGS1 124/4885TPH1 1/4885NR1H4 210/4885

“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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