SCHEMBL6162569

SCHEMBL6162569

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1-c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
GSK3B P49841 1/20 0.34
KCNQ4 P56696 3/20 0.34
KCNQ5 Q9NR82 3/20 0.34
GRM5 P41594 1/20 0.34
RORC P51449 2/20 0.34
CHRM3 P20309 3/20 0.33
HDAC3 O15379 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL5869026 0.86 KCNQ4 (0.37) EGLN2SIRT2SIRT1GSK3BKCNQ4
SCHEMBL6165176 0.85 GSK3B (0.39) EGLN2SIRT2SIRT1GSK3BKCNQ4
SCHEMBL6165733 0.85 GSK3B (0.39) SIRT2SIRT1GSK3BKCNQ4KCNQ5
SCHEMBL6165200 0.84 POLB (0.39) SIRT2SIRT1GSK3BKCNQ4KCNQ5
SCHEMBL6163633 0.84 GSK3B (0.38) SIRT2SIRT1GSK3BGRM5RORC
SCHEMBL7145960 0.82 EGLN2 (0.36) EGLN2SIRT2SIRT1GSK3BKCNQ4
SCHEMBL7139979 0.82 ALDH1A1 (0.40) EGLN2SIRT2SIRT1GSK3BGRM5
SCHEMBL5868909 0.82 KCNQ4 (0.38) EGLN2SIRT2SIRT1GSK3BKCNQ4
SCHEMBL6167089 0.82 KEAP1 (0.32) KCNQ4KCNQ5CHRM3
SCHEMBL6164750 0.81 PTGES (0.38) SIRT2SIRT1GSK3BGRM5RORC

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 EGLN2 1382/4885SIRT2 1023/4885SIRT1 901/4885

“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.