SCHEMBL977690

SCHEMBL977690

O=C(N[C@H]1CN2CCC1CC2)c1ccc([C@@]2(c3ccc(OCc4ccccn4)cc3)C[C@@H]3CC[C@H]2C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.51
CHRNA7 P36544 5/20 0.45
HTR3A P46098 2/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 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
SCHEMBL977697 1.00 ALOX5AP (0.51) ALOX5APCHRNA7HTR3AHTR3EHTR3B
SCHEMBL977695 1.00 ALOX5AP (0.51) ALOX5APCHRNA7HTR3AHTR3EHTR3B
SCHEMBL977688 1.00 ALOX5AP (0.51) ALOX5APCHRNA7HTR3AHTR3EHTR3B
SCHEMBL977086 0.86 ALOX5AP (0.58) ALOX5AP
SCHEMBL977088 0.86 ALOX5AP (0.58) ALOX5AP
SCHEMBL976621 0.84 ALOX5AP (0.57) ALOX5AP
SCHEMBL976620 0.84 ALOX5AP (0.57) ALOX5AP
SCHEMBL977784 0.84 ALOX5AP (0.58) ALOX5AP
SCHEMBL977786 0.84 ALOX5AP (0.58) ALOX5AP
SCHEMBL12920642 0.84 ALOX5AP (0.53) 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 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 47/4885CHRNA7 4004/4885HTR3A 1070/4885

“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.