SCHEMBL6166084

SCHEMBL6166084

CC(C)Nc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.44
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HPGD P15428 2/20 0.37
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 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
SCHEMBL5562912 0.86 NPC1 (0.41) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5562505 0.85 MAPT (0.39) MAPTALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL1725197 0.84 ALDH1A1 (0.42) HCAR3MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL5563257 0.83 RECQL (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5556908 0.81 RAB9A (0.38) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5562918 0.81 NPC1 (0.35) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5557182 0.80 RECQL (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6166045 0.80 AAK1 (0.40) MAPTLMNAHTTHSP90AA1
SCHEMBL5557086 0.80 AR (0.42) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6165541 0.80 MAPT (0.40) HCAR3MAPTALDH1A1CYP1A2CYP3A4

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 HCAR3 1262/4885MAPT 1155/4885ALDH1A1 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.