SCHEMBL4427306

SCHEMBL4427306

CC(C)(C)OC(=O)NC1CNc2ccccc2N(CC(F)(F)F)C1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.53
EPHX2 P34913 1/20 0.48
XIAP P98170 2/20 0.44
SCN10A Q9Y5Y9 1/20 0.42
RIPK1 Q13546 2/20 0.39

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
SCHEMBL4427298 1.00 SCN9A (0.53) SCN9AEPHX2XIAPSCN10ARIPK1
SCHEMBL13310781 1.00 SCN9A (0.53) SCN9AEPHX2XIAPSCN10ARIPK1
SCHEMBL645568 0.86 SCN9A (0.51) SCN9AEPHX2XIAP
SCHEMBL5619776 0.86 SCN9A (0.51) SCN9AEPHX2XIAPRIPK1
SCHEMBL5619770 0.86 SCN9A (0.51) SCN9AEPHX2XIAPRIPK1
SCHEMBL645694 0.86 SCN9A (0.51) SCN9AEPHX2XIAP
SCHEMBL8411272 0.85 SCN9A (0.52) SCN9AEPHX2XIAPRIPK1
SCHEMBL4992369 0.85 SCN9A (0.44) SCN9AEPHX2SCN10A
SCHEMBL4992351 0.85 SCN9A (0.44) SCN9AEPHX2SCN10A
SCHEMBL12522580 0.84 SCN9A (0.49) SCN9AEPHX2XIAPRIPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 US 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 (2 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 SCN9A 512/4885EPHX2 783/4885XIAP 4834/4885
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP SCN9A 599/4885EPHX2 1142/4885XIAP 3379/4885

“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.