Sugi Predict

Sugi Predict / Compounds / SCHEMBL8360463

SCHEMBL8360463

SCHEMBL8360463

CCOC(=O)c1ncn2c1[C@H](C)N=C(c1ccccn1)c1cc([Si](C)(C)C)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA3 P34903 16/20 0.57
▸ GABRA1 P14867 15/20 0.57
▸ GABRA5 P31644 15/20 0.57
▸ GABRG2 P18507 13/20 0.57
▸ GABRB3 P28472 13/20 0.57
▸ GABRA2 P47869 11/20 0.42
▸ GABRA6 Q16445 8/20 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
▸ GABRA4 P48169 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PMP22 Q01453 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
SCHEMBL13524277 1.00 GABRA3 (0.57) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL7722605 0.89 GABRG2 (0.58) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL19368522 0.89 GABRG2 (0.58) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL3142139 0.89 GABRG2 (0.58) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL13061768 0.89 GABRA5 (0.60) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL8359239 0.89 GABRA5 (0.60) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL8360461 0.88 GABRG2 (0.59) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL13524274 0.88 GABRG2 (0.59) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL8423146 0.88 GABRG2 (0.57) GABRA3GABRA1GABRA5GABRG2GABRB3
SCHEMBL3142451 0.86 GABRA3 (0.77) GABRA3GABRA1GABRA5GABRG2GABRB3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GABRA3 8/4885GABRA1 12/4885GABRA5 5/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 GABRA3 12/4885GABRA1 7/4885GABRA5 4/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRA3 5/4885GABRA1 4/4885GABRA5 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.