SCHEMBL6164924

SCHEMBL6164924

CC(C)(C)OC(=O)Nc1cc(N2CCC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.44
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
AR P10275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5557531 0.98 SERPINE1 (0.44) SERPINE1MAPTNPSR1ALDH1A1LMNA
SCHEMBL5563843 0.91 SERPINE1 (0.44) SERPINE1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL6439266 0.91 SERPINE1 (0.42) SERPINE1MAPTLMNAPOLBPGR
SCHEMBL7252111 0.90 SERPINE1 (0.42) SERPINE1MAPTLMNAPOLBPGR
SCHEMBL6165617 0.84 MAPT (0.49) MAPTNPSR1ALDH1A1GAAMAPK1
SCHEMBL6164728 0.84 MAPT (0.54) MAPTNPSR1ALDH1A1GAAMAPK1
SCHEMBL6167431 0.83 SMN1; SMN2 (0.46) MAPTNPSR1ALDH1A1GAAMAPK1
SCHEMBL6612169 0.83 SERPINE1 (0.48) SERPINE1MAPTNPSR1ALDH1A1LMNA
SCHEMBL6163733 0.82 MAPT (0.52) MAPTNPSR1ALDH1A1GAAMAPK1
SCHEMBL7146607 0.82 MAPT (0.44) MAPTNPSR1ALDH1A1GAAMAPK1

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 SERPINE1 1280/4885MAPT 1155/4885NPSR1 359/4885

“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.