Sugi Predict

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SCHEMBL6164773

SCHEMBL6164773

Cc1nc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)c(C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 2/20 0.38
▸ CPT1A P50416 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ F2 P00734 2/20 0.36
▸ F10 P00742 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36

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
SCHEMBL6165997 0.82 ERCC5 (0.36) MAPK1F10PRSS1PRSS2PRSS3
SCHEMBL5562386 0.80 ERCC5 (0.43) MAPK1ERCC5FEN1KDM4E
SCHEMBL5558020 0.79 GRM5 (0.41) ERCC5FEN1
SCHEMBL6164258 0.78 CPT2 (0.48) CPT2CPT1AALDH1A1ALOX5HPGD
SCHEMBL6166605 0.78 CPT2 (0.40) CPT2CPT1AALDH1A1CPT1BCYP2C19
SCHEMBL6163591 0.78 CPT2 (0.35) CPT2CPT1AALDH1A1CPT1BCYP2C19
SCHEMBL5557885 0.78 FGFR3 (0.38) MAPK1ERCC5FEN1
SCHEMBL6167366 0.77 GABRA5 (0.38) ALDH1A1MAPK1ERCC5FEN1POLB
SCHEMBL5558795 0.77 KAT6A (0.41) ALDH1A1MAPK1ERCC5FEN1KDM4E
SCHEMBL5562413 0.76 GRIA2 (0.37) MAPK1ERCC5FEN1

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
CN-1264825-C Dihydro-benzo [ b ] [1,4] diazepin * -2-one derivatives as mGluR2 antagonists II HOFFMANN LA ROCHE (CH) 2006-07-19 — — CN disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 — — EP disclosed
CN-1535266-A Dihydro-benzo [b][1,4] diazepin-2-one derivatives as mglur 2 antagonists II - 2004-10-06 — — CN disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 — — WO 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 (1 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 CPT2 2455/4885CPT1A 1106/4885ALDH1A1 316/4885

“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.