SCHEMBL6165541

SCHEMBL6165541

CN(C)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HCAR3 P49019 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5562918 0.90 NPC1 (0.35) MAPTNPSR1NPC1CYP1A2CYP3A4
SCHEMBL6168599 0.89 SMN1; SMN2 (0.37) MAPTNPSR1NPC1CYP1A2CYP3A4
SCHEMBL5562912 0.87 NPC1 (0.41) MAPTNPSR1NPC1CYP1A2CYP3A4
SCHEMBL6165889 0.87 HCAR3 (0.40) MAPTNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6165488 0.87 HCAR3 (0.43) MAPTNPSR1ALDH1A1HCAR3HTT
SCHEMBL6164947 0.86 RECQL (0.42) MAPTNPSR1NPC1RAB9AALDH1A1
SCHEMBL5563667 0.86 PTGS2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL6165636 0.85 MAPT (0.40) MAPTNPSR1NPC1RAB9AALDH1A1
SCHEMBL6165036 0.85 MAPT (0.40) MAPTNPSR1NPC1RAB9AALDH1A1
SCHEMBL6166512 0.85 VCAM1 (0.38) MAPTNPC1CYP1A2CYP3A4CYP2D6

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 MAPT 1155/4885NPSR1 359/4885NPC1 947/4885

“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.