SCHEMBL6163685

SCHEMBL6163685

CC(C)(C)OC(=O)Nc1cc(N2CCC2)c(C(F)(F)F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
S1PR1 P21453 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
SCHEMBL5562842 0.98 MAPT (0.40) LMNAPOLBMAPTTAAR1S1PR1
SCHEMBL5557435 0.90 ALDH1A1 (0.45) LMNAPOLBMAPTAAK1
SCHEMBL6435357 0.90 LMNA (0.40) LMNAPOLBMAPTRXFP1MEN1
SCHEMBL6469844 0.89 LMNA (0.37) LMNAPOLBMAPTRXFP1MEN1
SCHEMBL6606332 0.84 MAPT (0.38) POLBMAPTHTT
SCHEMBL6166440 0.83 KDM4E (0.39) LMNAMAPTMEN1KMT2AAAK1
SCHEMBL6166893 0.83 TSHR (0.42) MAPTMEN1TSHRHTTKMT2A
SCHEMBL6164924 0.82 SERPINE1 (0.44) LMNAPOLBMAPT
SCHEMBL6164845 0.81 MAPT (0.40) LMNAPOLBMAPTMEN1TSHR
SCHEMBL6641607 0.81 MAPT (0.41) LMNAPOLBMAPTHTT

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 LMNA 2394/4885POLB 2015/4885MAPT 1155/4885

“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.