SCHEMBL4435805

SCHEMBL4435805

CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.52
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
XIAP P98170 2/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 1/20 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
SCHEMBL5547781 1.00 SCN9A (0.52) SCN9ACCKARCCKBRXIAPKMT2A
SCHEMBL6028053 0.91 SCN9A (0.52) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL6178795 0.90 SCN9A (0.51) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL4433694 0.90 SCN9A (0.51) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL5026561 0.88 SCN9A (0.49) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL5621305 0.88 SCN9A (0.49) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL4705050 0.87 SCN9A (0.64) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL12345861 0.87 SCN9A (0.64) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL14019266 0.87 SCN9A (0.64) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL4434234 0.83 SCN9A (0.50) SCN9A

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 6 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
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US 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 512/4885CCKAR 192/4885CCKBR 253/4885
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP SCN9A 599/4885CCKAR 2010/4885CCKBR 1177/4885

“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.