SCHEMBL6165636

SCHEMBL6165636

CN(C)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCAR3 P49019 1/20 0.36
CYP17A1 P05093 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL6164947 0.86 RECQL (0.42) MAPTNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL5556891 0.86 LMNA (0.41) MAPTNPSR1ALDH1A1HCAR3SMN1; SMN2
SCHEMBL6165541 0.85 MAPT (0.40) MAPTNPSR1ALDH1A1RAB9AMEN1
SCHEMBL6165036 0.85 MAPT (0.40) MAPTNPSR1ALDH1A1RAB9AMEN1
SCHEMBL5562862 0.85 RAB9A (0.41) MAPTNPSR1ALDH1A1RAB9AMEN1
SCHEMBL6164705 0.83 RAB9A (0.37) MAPTNPSR1ALDH1A1RAB9AMEN1
SCHEMBL6163454 0.82 RAB9A (0.38) MAPTNPSR1ALDH1A1RAB9AMEN1
SCHEMBL6165555 0.82 HTT (0.42) MAPTNPSR1MEN1KMT2AHCAR3
SCHEMBL25381719 0.81 PKM (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL25095983 0.81 CYP17A1 (0.44) MAPTALDH1A1RAB9AMEN1KMT2A

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 MAPT 1155/4885NPSR1 359/4885ALDH1A1 316/4885

“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.