SCHEMBL2364261

SCHEMBL2364261

CC(C)(C)N(C(=O)O)C1CCc2cc(OC(F)(F)F)ccc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES1 P23141 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
KIF11 P52732 2/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TGM2 P21980 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
GCGR P47871 4/20 0.35
GIPR P48546 3/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BACE1 P56817 1/20 0.35
PAX8 Q06710 1/20 0.35
LRRK2 Q5S007 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL2361799 0.84 DDB1 (0.41) PDE3BPDE3ATRPM8
SCHEMBL2284752 0.81 RIPK1 (0.43)
SCHEMBL2283134 0.81 RIPK1 (0.43)
SCHEMBL2283000 0.80 KIF11 (0.38) KIF11PDE3BPDE3A
SCHEMBL2279613 0.80 KIF11 (0.38) KIF11PDE3BPDE3A
SCHEMBL17312580 0.79 RIPK1 (0.44) MAPTSMN1; SMN2PPARDPPARALRRK2
SCHEMBL17312581 0.79 RIPK1 (0.44) MAPTSMN1; SMN2PPARDPPARALRRK2
SCHEMBL2281716 0.79 PYGL (0.43) MAPT
SCHEMBL2283972 0.79 PYGL (0.43) MAPT
SCHEMBL17312604 0.76 OPRM1 (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212891-A1 AZEPINONE DERIVATIVES MSD K.K. 2011-09-01 US disclosed
EP-2358735-A1 AZEPINONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010056496-A1 AZEPINONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-05-20 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-20110212891-A1 AZEPINONE DERIVATIVES AZI2, NDUFS3, RPS4Y1 MAPT 4687/4885SMN1; SMN2 4372/4885CES1 3389/4885

“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.