SCHEMBL6165934

SCHEMBL6165934

Cn1nccc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CTSA P10619 1/20 0.41
PORCN Q9H237 1/20 0.40
CBLB Q13191 1/20 0.40
ROCK2 O75116 1/20 0.37
KIF18A Q8NI77 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HTR2A P28223 1/20 0.37
BRD4 O60885 1/20 0.37
BRD3 Q15059 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
MAP1LC3A Q9H492 1/20 0.37
ERCC5 P28715 2/20 0.36
FEN1 P39748 2/20 0.36
LRRK2 Q5S007 1/20 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
SCHEMBL6612788 0.83 CTSV (0.51) CTSVCTSLCTSBCTSSDRD2
SCHEMBL5558795 0.80 KAT6A (0.41) ERCC5FEN1
SCHEMBL5557714 0.79 CYP17A1 (0.48) ROCK2ERCC5FEN1
SCHEMBL5869091 0.78 RIPK2 (0.45) KIF18AERCC5FEN1PRMT5WDR77
SCHEMBL5562300 0.78 KAT6A (0.44) CTSLCTSBCTSSERCC5FEN1
SCHEMBL6163608 0.78 USP30 (0.37) DRD2DRD3
SCHEMBL6162351 0.77 DGAT2 (0.49) CTSVCTSLCTSBCTSSCTSA
SCHEMBL5557079 0.77 KMO (0.55) ERCC5FEN1
SCHEMBL5558349 0.76 CTSV (0.43) CTSVCTSLCTSBCTSSERCC5
SCHEMBL5562095 0.76 ABL1 (0.48) PORCNERCC5FEN1

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 12 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
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 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-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP 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-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I 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 (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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 CTSV 4527/4885CTSL 4704/4885CTSB 1346/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 CTSV 4443/4885CTSL 4157/4885CTSB 1964/4885

“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.