SCHEMBL6165555

SCHEMBL6165555

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
TRPA1 O75762 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
HCAR3 P49019 1/20 0.34
EGLN2 Q96KS0 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
SCHEMBL6166250 0.90 HTT (0.40) HTTLMNAMAPTMEN1KMT2A
SCHEMBL6166886 0.88 LMNA (0.43) HTTLMNAMAPTMEN1KMT2A
SCHEMBL6164355 0.87 HCAR3 (0.41) HTTLMNAMEN1KMT2AL3MBTL1
SCHEMBL6164627 0.87 AAK1 (0.39) HTTLMNATRPA1AAK1
SCHEMBL29430885 0.84 HTT (0.44) HTTLMNAMAPTMEN1KMT2A
SCHEMBL6162554 0.84 HTT (0.44) HTTLMNAMAPTMEN1KMT2A
SCHEMBL29430791 0.84 HTT (0.44) HTTLMNAMAPTMEN1KMT2A
SCHEMBL6164947 0.83 RECQL (0.42) HTTMAPTNPSR1KMT2AL3MBTL1
SCHEMBL6165164 0.83 NPC1 (0.38) HTTMAPTNPSR1SMN1; SMN2HCAR3
SCHEMBL6165636 0.82 MAPT (0.40) HTTMAPTNPSR1MEN1KMT2A

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 HTT 1383/4885LMNA 2394/4885MAPT 1155/4885

“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.