SCHEMBL2361799

SCHEMBL2361799

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.41
CRBN Q96SW2 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.34
HTR5A P47898 2/20 0.34
MAPK1 P28482 1/20 0.34
RIPK1 Q13546 3/20 0.34
TRPV1 Q8NER1 2/20 0.33
NR3C2 P08235 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NR3C1 P04150 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 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
SCHEMBL2283134 0.86 RIPK1 (0.43) DDB1CRBNMAPK1RIPK1
SCHEMBL2284752 0.86 RIPK1 (0.43) DDB1CRBNMAPK1RIPK1
SCHEMBL2279613 0.84 KIF11 (0.38) DDB1CRBNRIPK1PDE3BPDE3A
SCHEMBL2283000 0.84 KIF11 (0.38) DDB1CRBNRIPK1PDE3BPDE3A
SCHEMBL2364261 0.84 MAPT (0.40) TRPM8PDE3BPDE3A
SCHEMBL17312581 0.83 RIPK1 (0.44) DDB1CRBNRIPK1ALDH1A1
SCHEMBL17312580 0.83 RIPK1 (0.44) DDB1CRBNRIPK1ALDH1A1
SCHEMBL2283972 0.83 PYGL (0.43) DDB1CRBNRIPK1NPC1
SCHEMBL2281716 0.83 PYGL (0.43) DDB1CRBNRIPK1NPC1
SCHEMBL17312604 0.80 OPRM1 (0.35) DDB1CRBNNR3C1OPRM1OPRK1

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 DDB1 4331/4885CRBN 1040/4885TRPM8 3381/4885

“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.