SCHEMBL4672

SCHEMBL4672

COc1cccc(CN=C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
CMA1 P23946 1/20 0.50
CTBP2 P56545 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ACHE P22303 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAOB P27338 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
AOC3 Q16853 1/20 0.45

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
SCHEMBL4011737 0.83 TAAR1 (0.56) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL2809450 0.83 MAOB (0.56) MAOB
3-Methoxybenxyl Isothiocyanate SCHEMBL1551644 0.83 MIF (0.64) TAAR1IDO1AGXTCMA1CTBP2
SCHEMBL29170708 0.82 GRIN2D (0.46)
SCHEMBL9490171 0.81 TAAR1 (0.60) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL5465655 0.81 MIF (0.47) TAAR1CYP1A2
SCHEMBL26785 0.81 MIF (0.47) TAAR1CYP1A2
SCHEMBL3876902 0.81 LMNA (0.54) ACHE
Chloromethane SCHEMBL15655633 0.80 MIF (0.43) TAAR1
SCHEMBL22471928 0.79 MIF (0.46) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260144743-A1 COMPOUNDS TMEM16A LIMITED (GB) 2026-05-28 US disclosed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-4699655-A2 COMPOUNDS TMEM16A LIMITED (GB) 2026-02-25 EP disclosed
US-12377105-B2 Compounds TMEM16A LIMITED (GB) 2025-08-05 US disclosed
CN-119490451-A Compounds as positive modulators of calcium activated chloride channels TMEM16A有限公司 2025-02-21 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
CN-111683926-B Compounds of formula (I) 企业治疗学有限公司 2024-11-08 CN disclosed
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
US-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 EP disclosed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO disclosed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed
WO-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 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-20260144743-A1 COMPOUNDS CACNA1E, TMEM109, CACNA1C TAAR1 1097/4885IDO1 4724/4885AGXT 3405/4885
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 TAAR1 245/4885IDO1 850/4885AGXT 3391/4885
US-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 TAAR1 90/4885IDO1 1599/4885AGXT 1228/4885
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV TAAR1 589/4885IDO1 2824/4885AGXT 4339/4885
US-12377105-B2 Compounds CACNA1E, TMEM109, CACNA1A TAAR1 2114/4885IDO1 4802/4885AGXT 2204/4885

“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.