SCHEMBL6166485

SCHEMBL6166485

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3nncc3COC3CCCCO3)c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
HSD11B1 P28845 3/20 0.31
CCR2 P41597 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6164832 0.94 EP300 (0.31) EP300CREBBPHSD11B1CCR2
SCHEMBL6167437 0.94 HSD11B1 (0.33) HSD11B1
SCHEMBL6163572 0.93 EP300 (0.32) EP300CREBBPL3MBTL1MEN1KMT2A
SCHEMBL6167272 0.93 EP300 (0.31) EP300CREBBPL3MBTL1
SCHEMBL6164765 0.93 NR3C1 (0.32) EP300CREBBP
SCHEMBL6165565 0.92 EP300 (0.33) EP300CREBBPHSD11B1MEN1KMT2A
SCHEMBL6163327 0.92 HSD11B1 (0.34) EP300CREBBPHSD11B1MEN1KMT2A
SCHEMBL6433245 0.92 HSD11B1 (0.34) EP300CREBBPHSD11B1CCR2MEN1
SCHEMBL6433725 0.92 EP300 (0.33) EP300CREBBPHSD11B1CCR2MEN1
SCHEMBL6433275 0.91 EP300 (0.33) EP300CREBBPHSD11B1CCR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 EP300 3193/4885CREBBP 970/4885HSD11B1 175/4885

“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.