SCHEMBL2992299

SCHEMBL2992299

[C-]#[N+]Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.54
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 3/20 0.48
CYP3A4 P08684 2/20 0.48
AGXT P21549 2/20 0.48
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
CHRM2 P08172 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL29953051 1.00 PNMT (0.54) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL407367 0.84 DHFR (0.39) PNMTTAAR1SIGMAR1
SCHEMBL2557874 0.79 TAAR1 (0.57) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL17757991 0.78 PNMT (0.54) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL10730667 0.78 PNMT (0.54) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL5323431 0.75
SCHEMBL1550703 0.74 TAAR1 (0.50) TAAR1IDO1AGXTSIGMAR1
SCHEMBL29951478 0.74 TAAR1 (0.50) TAAR1IDO1AGXTSIGMAR1
SCHEMBL29956498 0.74 TAAR1 (0.50) TAAR1IDO1
SCHEMBL29951474 0.74 TAAR1 (0.50) TAAR1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051528-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
EP-0195939-B1 IMIDAZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-06-12 EP disclosed
US-4616010-A ANXIOLYTIC, ANTICONJULSANT, MUSCLE RELAXANT, AND SEDATIVE HOFFMANN-LA ROCHE INC. (US) 1986-10-07 US disclosed
EP-0195939-A2 Imidazodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-01 EP 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 (3 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 PNMT 1003/4885TAAR1 739/4885IDO1 1997/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PNMT 950/4885TAAR1 848/4885IDO1 689/4885
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 PNMT 376/4885TAAR1 2537/4885IDO1 3291/4885

“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.