SCHEMBL3142139

SCHEMBL3142139

CCOC(=O)c1ncn2c1C(C)N=C(c1ccccn1)c1cc(Br)ccc1-2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 15/20 0.58
GABRB3 P28472 15/20 0.58
GABRA5 P31644 15/20 0.58
GABRA3 P34903 10/20 0.58
GABRA1 P14867 8/20 0.58
GABRA2 P47869 4/20 0.55
GABRA6 Q16445 3/20 0.55
GABRA4 P48169 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19368522 1.00 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7722605 1.00 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13524274 0.89 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8360461 0.89 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13524277 0.89 GABRA3 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8423146 0.89 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8360463 0.89 GABRA3 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7726228 0.88 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3146540 0.88 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7726574 0.88 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 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-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 (4 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-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRG2 25/4885GABRB3 7/4885GABRA5 5/4885
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
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.