SCHEMBL3139898

SCHEMBL3139898

CCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(C#CC(C)(C)C)ccc1-2

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.79
GABRB3 P28472 18/20 0.79
GABRA5 P31644 15/20 0.79
GABRA3 P34903 11/20 0.79
GABRA2 P47869 10/20 0.79
GABRA1 P14867 8/20 0.79
GABRA6 Q16445 4/20 0.79
GABRA4 P48169 3/20 0.79
GABRB2 P47870 5/20 0.63

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
SCHEMBL17088099 0.91 GABRG2 (0.82) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2845754 0.89 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL638718 0.88 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL8273440 0.85 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL14574154 0.85 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2851649 0.85 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL16062590 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2841060 0.83 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2848785 0.83 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2849597 0.83 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 US disclosed
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 US disclosed
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-05 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-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 GABRG2 21/4885GABRB3 14/4885GABRA5 3/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 GABRG2 24/4885GABRB3 17/4885GABRA5 4/4885

“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.