SCHEMBL6166247

SCHEMBL6166247

CC(C)CNc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.35
TRPA1 O75762 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
SCHEMBL5562505 0.84 MAPT (0.39) AAK1LMNAHTTMAPTALDH1A1
SCHEMBL5562801 0.82 MAPT (0.40) AAK1LMNAHTTMAPTALDH1A1
SCHEMBL6164627 0.81 AAK1 (0.39) AAK1LMNAHTTTRPA1
SCHEMBL29430885 0.80 HTT (0.44) AAK1LMNAHTTMAPTALDH1A1
SCHEMBL29430791 0.80 HTT (0.44) AAK1LMNAHTTMAPTCYP1A2
SCHEMBL6162554 0.80 HTT (0.44) AAK1LMNAHTTMAPTALDH1A1
SCHEMBL6166250 0.80 HTT (0.40) AAK1LMNAHTTMAPTTRPA1
SCHEMBL6165555 0.78 HTT (0.42) AAK1LMNAHTTMAPTTRPA1
SCHEMBL6166886 0.78 LMNA (0.43) AAK1LMNAHTTMAPTALDH1A1
SCHEMBL6165734 0.77 ALDH1A1 (0.53) LMNAHTTMAPTALDH1A1CYP1A2

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 AAK1 2640/4885LMNA 2394/4885HTT 1383/4885

“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.