SCHEMBL6163350

SCHEMBL6163350

CN(CC1CC1)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
AR P10275 5/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
P2RY6 Q15077 1/20 0.34
DRD2 P14416 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 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
SCHEMBL5557081 0.86 LMNA (0.38) LMNAPOLBARPGRCYP3A4
SCHEMBL5558433 0.85 HCAR3 (0.42) LMNAPOLBARPGRCYP3A4
SCHEMBL5556891 0.85 LMNA (0.41) LMNAPOLBARPGRCYP3A4
SCHEMBL5562591 0.84 AR (0.38) LMNAPOLBARPGRCYP3A4
SCHEMBL6163490 0.84 AAK1 (0.41) LMNAPOLBRXFP1CNR2
SCHEMBL5557016 0.82 AR (0.41) LMNAPOLBARPGRCYP3A4
SCHEMBL5557085 0.81 LIPC (0.37) LMNAPOLBARPGRCYP3A4
SCHEMBL5557898 0.80 HTR2A (0.37) LMNAPOLBARPGRCYP3A4
SCHEMBL27542442 0.80 AR (0.33) ARPGRCYP3A4
SCHEMBL5563760 0.79 LMNA (0.40) LMNAPOLBARPGRCYP3A4

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 2015/4885AR 2564/4885

“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.