SCHEMBL6167796

SCHEMBL6167796

CN(CC1CC1)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccnc(C#N)c2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.33
ACACA Q13085 1/20 0.33
KDR P35968 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
BDKRB1 P46663 3/20 0.32
AR P10275 3/20 0.32
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
RAF1 P04049 1/20 0.30
POLB P06746 1/20 0.30
WDR5 P61964 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL6163566 0.89 KDR (0.35) KDRAAK1ARPOLB
SCHEMBL6166120 0.87 AAK1 (0.36) KDRAAK1ARPOLB
SCHEMBL6167320 0.85 ACACB (0.38) ACACBACACAKDRAAK1BDKRB1
SCHEMBL6435476 0.83 KDR (0.36) KDRAAK1ARPOLB
SCHEMBL6434527 0.82 AAK1 (0.38) KDRAAK1AR
SCHEMBL6163857 0.81 AAK1 (0.40) KDRAAK1
SCHEMBL6433039 0.81 AAK1 (0.37) KDRAAK1AR
SCHEMBL6163340 0.81 SCN10A (0.37) ACACBKDRAAK1ARWDR5
SCHEMBL6165622 0.81 SCN10A (0.39) ACACBKDRARSCN10A
SCHEMBL6607208 0.80 POLB (0.36) ACACBKDRBDKRB1PRKCQPRKCD

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 ACACB 1523/4885ACACA 1715/4885KDR 4241/4885

“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.