SCHEMBL6163490

SCHEMBL6163490

CN(CC1CC1)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.41
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ABL1 P00519 2/20 0.35
PTK6 Q13882 2/20 0.35
CNR2 P34972 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC3 O15379 1/20 0.33
FYN P06241 1/20 0.33
SRC P12931 1/20 0.33
CCR2 P41597 1/20 0.32

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
SCHEMBL5563603 0.85 AAK1 (0.39) AAK1LMNAPOLBABL1PTK6
SCHEMBL6163350 0.84 LMNA (0.35) LMNAPOLBCNR2RXFP1
SCHEMBL5557114 0.84 LMNA (0.37) AAK1LMNAPOLBCNR2RXFP1
SCHEMBL2320229 0.83 LMNA (0.41) AAK1LMNAPOLBRXFP1
SCHEMBL2316008 0.83 AAK1 (0.39) AAK1LMNAPOLBRXFP1
SCHEMBL5557009 0.80 LMNA (0.39) AAK1LMNAPOLBRXFP1
SCHEMBL5563600 0.80 AAK1 (0.42) AAK1LMNAPOLBCNR2RXFP1
SCHEMBL5557192 0.79 AAK1 (0.43) AAK1LMNAPOLBCNR2HDAC1
SCHEMBL27539689 0.77 CNR2 (0.32) CNR2
SCHEMBL5562486 0.77 AAK1 (0.40) AAK1LMNAPOLBCNR2RXFP1

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 2394/4885POLB 2015/4885

“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.