SCHEMBL7717616

SCHEMBL7717616

CCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1ccccc1-2

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 14/20 0.88
GABRB3 P28472 14/20 0.88
GABRA5 P31644 13/20 0.88
GABRA2 P47869 6/20 0.88
GABRB2 P47870 2/20 0.88
GABRA3 P34903 5/20 0.75
GABRA1 P14867 5/20 0.75
GABRA6 Q16445 2/20 0.75
GABRA4 P48169 1/20 0.75

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
SCHEMBL14574154 0.90 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL2851649 0.90 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL8361074 0.89 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL8272742 0.88 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL8361068 0.88 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL13352288 0.88 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL2848785 0.88 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL2841060 0.88 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL2849597 0.88 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL7722534 0.88 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. (US) 2012-11-22 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-27 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-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-12-27 US disclosed
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 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 (7 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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 6/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 GABRG2 15/4885GABRB3 9/4885GABRA5 6/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 6/4885
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRG2 10/4885GABRB3 3/4885GABRA5 13/4885
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders GABRA3, GABRA6, GABRA4 GABRG2 14/4885GABRB3 8/4885GABRA5 6/4885
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
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRG2 11/4885GABRB3 16/4885GABRA5 1/4885

“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.