Hydrochloric Acid

Hydrochloric Acid

SCHEMBL22150732

COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 known ✓ P21453 1/20 0.57
▸ TPH1 P17752 17/20 1.00
▸ NR1H4 Q96RI1 1/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ KMT2A Q03164 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 SCHEMBL22150736 1.00 TPH1 (1.00) TPH1S1PR1NR1H4NPC1MAPT
SCHEMBL20777161 0.99 TPH1 (1.00) TPH1S1PR1NR1H4NPC1MAPT
SCHEMBL20777159 0.99 TPH1 (1.00) TPH1S1PR1NR1H4NPC1MAPT
Hydrochloric Acid SCHEMBL29810149 0.91 TPH1 (0.83) TPH1S1PR1NR1H4MAPTNPSR1
SCHEMBL29810156 0.90 TPH1 (0.82) TPH1S1PR1NR1H4MAPTNPSR1
Hydrochloric Acid SCHEMBL29810109 0.89 TPH1 (1.00) TPH1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29810180 0.89 TPH1 (0.80) TPH1S1PR1TP53
Hydrochloric Acid SCHEMBL29810119 0.89 TPH1 (0.79) TPH1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29810131 0.88 TPH1 (0.79) TPH1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29810133 0.88 TPH1 (0.78) TPH1NPC1MAPTRAB9ASMN1; SMN2

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-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
WO-2022149925-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND USE THEREOF 광주과학기술원 2022-07-14 — — WO 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 S1PR1 1026/4885TPH1 1/4885NR1H4 196/4885
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME TPH1, TPH2, IDO1 S1PR1 1092/4885TPH1 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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