SCHEMBL6164712

SCHEMBL6164712

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 6/20 0.37
POLB P06746 1/20 0.36
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
RORC P51449 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6164277 0.92 L3MBTL1 (0.36) L3MBTL1NOTUMPOLBMAPK9MAPK10
SCHEMBL6166867 0.92 L3MBTL1 (0.36) L3MBTL1NOTUMPOLBMAPK9MAPK10
SCHEMBL6166140 0.91 L3MBTL1 (0.38) L3MBTL1POLBRXFP1
SCHEMBL6434623 0.90 NOTUM (0.39) L3MBTL1NOTUMPOLBMAPK9MAPK10
SCHEMBL6689698 0.89 L3MBTL1 (0.41) L3MBTL1NOTUMPOLBMAPK9MAPK10
SCHEMBL6166386 0.89 NOTUM (0.38) L3MBTL1NOTUM
SCHEMBL6437848 0.89 NOTUM (0.43) L3MBTL1NOTUMPOLBRORC
SCHEMBL6437887 0.88 PTK2 (0.39) L3MBTL1NOTUMPOLB
SCHEMBL6166873 0.88 L3MBTL1 (0.42) L3MBTL1POLBRORCRXFP1
SCHEMBL6436725 0.87 TSHR (0.39) L3MBTL1NOTUMPOLBMAPK9MAPK10

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 3 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
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

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 L3MBTL1 2727/4885NOTUM 3530/4885POLB 2015/4885

“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.