SCHEMBL7726574

SCHEMBL7726574

CCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccccc1)c1cc(Br)ccc1-2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 17/20 0.61
GABRB3 P28472 17/20 0.61
GABRA5 P31644 17/20 0.61
GABRA3 P34903 8/20 0.61
GABRA1 P14867 7/20 0.61
GABRA2 P47869 6/20 0.57
GABRA6 Q16445 4/20 0.57
GABRA4 P48169 2/20 0.51
GABRB2 P47870 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7726228 1.00 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3146540 1.00 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8422923 0.91 GABRA5 (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8422919 0.91 GABRA5 (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8363053 0.89 GABRA5 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13524276 0.89 GABRA5 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8363054 0.88 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8272438 0.88 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7722895 0.88 GABRA5 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7722748 0.88 GABRA5 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 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

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-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.