SCHEMBL976687

SCHEMBL976687

CCC(Oc1ccc([C@@]2(c3ccc(C(=O)NCC(C)(C)O)cc3)C[C@@H]3CC[C@H]2C3)cc1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 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
SCHEMBL976688 1.00 ALOX5AP (0.40) ALOX5APNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL976566 0.91 ALOX5AP (0.41) ALOX5AP
SCHEMBL976564 0.91 ALOX5AP (0.41) ALOX5AP
SCHEMBL974876 0.87 ALOX5AP (0.44) ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL974874 0.87 ALOX5AP (0.44) ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL975719 0.86 ALOX5AP (0.46) ALOX5AP
SCHEMBL12920600 0.86 ALOX5AP (0.46) ALOX5AP
SCHEMBL977714 0.83 ALOX5AP (0.54) ALOX5AP
SCHEMBL977715 0.83 ALOX5AP (0.54) ALOX5AP
SCHEMBL12948116 0.80 ALOX5AP (0.43) ALOX5APSMN1; SMN2

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 47/4885NPC1 721/4885RAB9A 4304/4885

“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.