SCHEMBL6164284

SCHEMBL6164284

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3cc(COC4CCCCO4)cn3)c2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.36
EP300 Q09472 1/20 0.36
MAPK10 P53779 1/20 0.35
MLLT3 P42568 1/20 0.33
MLLT1 Q03111 1/20 0.33
CCR2 P41597 3/20 0.32
MGLL Q99685 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
CNR2 P34972 1/20 0.30
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
SCHEMBL6164847 0.91 CREBBP (0.37) CREBBPEP300MAPK10MLLT3MLLT1
SCHEMBL6165457 0.87 EP300 (0.33) CREBBPEP300CCR2L3MBTL1MEN1
SCHEMBL6166485 0.86 EP300 (0.32) CREBBPEP300CCR2L3MBTL1MEN1
SCHEMBL6607850 0.84 CREBBP (0.39) CREBBPEP300MAPK10MLLT3MLLT1
SCHEMBL6168648 0.83 RORC (0.31) CREBBPEP300CCR2KMT2A
SCHEMBL6167437 0.83 HSD11B1 (0.33)
SCHEMBL6165927 0.81 HDAC6 (0.33) CREBBPEP300CCR2
SCHEMBL5562854 0.81 CCR2 (0.32) CREBBPEP300CCR2
SCHEMBL6167093 0.81 CCR2 (0.32) CREBBPEP300CCR2
SCHEMBL6164832 0.81 EP300 (0.31) CREBBPEP300CCR2

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 CREBBP 970/4885EP300 3193/4885MAPK10 4421/4885

“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.