SCHEMBL975396

SCHEMBL975396

CN1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 14/20 0.53
SLC6A5 Q9Y345 4/20 0.49
DRD4 P21917 1/20 0.45

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
SCHEMBL12920642 1.00 ALOX5AP (0.53) ALOX5APSLC6A5DRD4
SCHEMBL977088 0.92 ALOX5AP (0.58) ALOX5AP
SCHEMBL977086 0.92 ALOX5AP (0.58) ALOX5AP
SCHEMBL12920645 0.92 ALOX5AP (0.51) ALOX5APSLC6A5DRD4
SCHEMBL12920644 0.92 ALOX5AP (0.51) ALOX5APDRD4
SCHEMBL976578 0.92 ALOX5AP (0.51) ALOX5APDRD4
SCHEMBL12948062 0.91 ALOX5AP (0.51) ALOX5APDRD4
SCHEMBL976620 0.91 ALOX5AP (0.57) ALOX5AP
SCHEMBL976621 0.91 ALOX5AP (0.57) ALOX5AP
SCHEMBL13883137 0.91 ALDH1A1 (0.54) ALOX5APDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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 (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 47/4885SLC6A5 4736/4885DRD4 2640/4885

“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.