SCHEMBL3435356

SCHEMBL3435356

COc1cccc2c1c(-c1cn(C)nn1)nn1c(-c3cc(C)on3)nnc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.54
GABRG2 P18507 9/20 0.54
GABRB3 P28472 9/20 0.54
GABRA5 P31644 9/20 0.54
GABRA3 P34903 9/20 0.54
GABRA2 P47869 9/20 0.54
GABRA4 P48169 1/20 0.46
GABRA6 Q16445 1/20 0.46
CACNA2D1 P54289 1/20 0.39
APLNR P35414 5/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL6999780 0.76 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6999772 0.76 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7960279 0.75 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7354240 0.73 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29550288 0.70 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1257594 0.70 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Water SCHEMBL7245840 0.70 GABRA1 (0.98) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31226187 0.69 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7475422 0.69 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7480454 0.68 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-7326709-B2 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION (US) 2008-02-05 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-20060217384-A1 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2006-09-28 US disclosed
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-7053093-B2 Bicyclic and tricyclic hetroaromatic compounds NEUROGEN CORPORATION (US) 2006-05-30 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands NEUROGEN CORPORATION 2006-01-19 US disclosed
US-6972293-B2 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2005-12-06 US disclosed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US disclosed
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2002-09-12 US disclosed
US-6448246-B1 COMPOUNDS THAT BIND WITH HIGH SELECTIVITY AND HIGH AFFINITY TO THE BENZODIAZEPINE SITE OF GABA.SUB.A RECEPTORS NEUROGEN CORPORATION 2002-09-10 US disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed
US-20020055524-A1 Novel aryl substituted tetrahydroindazoles as ligands of the GABA receptor NEUROGEN CORPORATION 2002-05-09 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US disclosed
US-20020035120-A1 Oxo-imidazopyridine-carboxamides NEUROGEN CORPORATION 2002-03-21 US disclosed
US-20020032200-A1 2-Substituted imidazo[1,2-A]pyridine derivatives NEUROGEN CORPORATION 2002-03-14 US disclosed
US-20020019410-A1 Imidazoloisoquinolines NEUROGEN CORPORATION 2002-02-14 US disclosed
US-6297256-B1 TREATING ANXIETY, DEPRESSION, A SLEEP DISORDER, OR COGNITIVE IMPAIRMENT. NEUROGEN CORPORATION 2001-10-02 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 (10 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-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands GABRA5, GABRA2, GABBR1 GABRA1 7/4885GABRG2 14/4885GABRB3 10/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 GABRA1 8/4885GABRG2 16/4885GABRB3 10/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE GABRA1 2/4885GABRG2 73/4885GABRB3 33/4885
US-20020035120-A1 Oxo-imidazopyridine-carboxamides GABRB2, GABRA2, GABRB1 GABRA1 4/4885GABRG2 15/4885GABRB3 7/4885
US-20060217384-A1 Bicyclic and tricyclic heteroaromatic compounds GABBR1, GABBR2, GABRA4 GABRA1 5/4885GABRG2 15/4885GABRB3 12/4885
US-20020055524-A1 Novel aryl substituted tetrahydroindazoles as ligands of the GABA receptor GABRA1, GABRB1, GABRA3 GABRA1 1/4885GABRG2 37/4885GABRB3 5/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 GABRA1 4/4885GABRG2 3/4885GABRB3 25/4885
US-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 GABRA1 4/4885GABRG2 15/4885GABRB3 7/4885
US-20020032200-A1 2-Substituted imidazo[1,2-A]pyridine derivatives GABBR2, GABRP, GABBR1 GABRA1 5/4885GABRG2 18/4885GABRB3 8/4885
US-20020019410-A1 Imidazoloisoquinolines GABRP, GABRA2, GABRA3 GABRA1 4/4885GABRG2 13/4885GABRB3 7/4885

“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.