SCHEMBL976097

SCHEMBL976097

CC(C)(N)CNC(=O)c1ccc([C@@]2(c3ccc(OCc4ccccn4)cc3)C[C@@H]3CC[C@H]2C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.53
PARP10 Q53GL7 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL976096 1.00 ALOX5AP (0.53) ALOX5APPARP10HPGDHSD17B10MEN1
SCHEMBL977714 0.93 ALOX5AP (0.54) ALOX5APPARP10
SCHEMBL977715 0.93 ALOX5AP (0.54) ALOX5APPARP10
SCHEMBL979223 0.90 ALOX5AP (0.54) ALOX5APPARP10
SCHEMBL974840 0.88 ALOX5AP (0.56) ALOX5APPARP10
SCHEMBL974842 0.88 ALOX5AP (0.56) ALOX5APPARP10
SCHEMBL976144 0.87 ALOX5AP (0.55) ALOX5APHPGDHSD17B10
SCHEMBL976143 0.87 ALOX5AP (0.55) ALOX5APHPGDHSD17B10
SCHEMBL977823 0.87 ALOX5AP (0.55) ALOX5AP
SCHEMBL12920658 0.87 ALOX5AP (0.55) ALOX5AP

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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
EP-2209761-A1 DIPHENYL SUBSTITUTED CYCLOALKANES Merck Sharp & Dohme Corp. (US) 2010-07-28 EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885PARP10 567/4885HPGD 145/4885

“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.