SCHEMBL183621

SCHEMBL183621

FC(F)(F)c1ccc2c(c1)CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.60
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
HTR2B P41595 3/20 0.55
PNMT P11086 6/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL29808272 1.00 ASIC3 (0.60) ASIC3HTR2AHTR2CHTR2BPNMT
Hydrochloric Acid SCHEMBL1000239 0.98 ASIC3 (0.59) ASIC3HTR2AHTR2CHTR2BPNMT
SCHEMBL329770 0.93 ASIC3 (0.69) ASIC3HTR2AHTR2CHTR2BPNMT
Hydrochloric Acid SCHEMBL1000104 0.91 ASIC3 (0.68) ASIC3HTR2AHTR2CHTR2BPNMT
SCHEMBL11325344 0.89 ASIC3 (0.50) ASIC3HTR2AHTR2CHTR2BPNMT
SCHEMBL23727496 0.89 HTR2C (0.58) ASIC3HTR2AHTR2CHTR2BPNMT
SCHEMBL2675790 0.86 ASIC3 (0.67) ASIC3HTR2AHTR2CHTR2BPNMT
SCHEMBL19443102 0.86 PNMT (0.51) ASIC3HTR2AHTR2CHTR2BPNMT
Hydrochloric Acid SCHEMBL13717588 0.85 ASIC3 (0.65) ASIC3HTR2AHTR2CHTR2BPNMT
Hydrochloric Acid SCHEMBL31021978 0.85 ASIC3 (0.65) ASIC3HTR2AHTR2CHTR2BPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457245-B Synthesis method of 7- (trifluoromethyl) isoquinoline-5-amine 苏州康润医药有限公司 2022-11-22 CN claimed
CN-112457245-A Synthesis method of 7- (trifluoromethyl) isoquinoline-5-amine 苏州康润医药有限公司 2021-03-09 CN claimed
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
WO-2025079045-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2025-04-17 WO disclosed
WO-2025049767-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
WO-2024005526-A1 NOVEL COMPOUND AS NADPH OXIDASE 2 INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 동국대학교 산학협력단 2024-01-04 WO disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 EP disclosed
EP-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 EP disclosed
CN-115403570-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-11-29 CN disclosed
EP-1144405-A1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY BASF AKTIENGESELLSCHAFT (DE) 2001-10-17 EP disclosed
WO-2000042036-A1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
CN-1224418-A Tetrahydroisoquinoline derivs. as modulators of dopamine D3 receptors SMITHKLINE BEECHAM PLC (GB) 1999-07-28 CN disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed
US-4062961-A SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES SMITHKLINE CORPORATION (US) 1977-12-13 US disclosed
US-3988339-A 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE SMITHKLINE CORPORATION (US) 1976-10-26 US 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-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL ASIC3 1006/4885HTR2A 4619/4885HTR2C 4642/4885
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 ASIC3 4146/4885HTR2A 4492/4885HTR2C 4712/4885

“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.