SCHEMBL2581589

SCHEMBL2581589

COC(=O)C(Cc1ccccc1)(Cc1ccccc1)CN1CCC(F)(c2cccc(OCc3ccccc3)c2)C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.43
OPRM1 P35372 4/20 0.41
OPRK1 P41145 2/20 0.40
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL2583630 0.86 ADAM17 (0.46) ADAM17OPRM1
SCHEMBL2586124 0.83 OPRM1 (0.47) ADAM17OPRM1OPRK1KDM2B
SCHEMBL12175524 0.82 OPRM1 (0.50) OPRM1OPRK1
Hydrochloric Acid SCHEMBL2589495 0.82 OPRM1 (0.49) OPRM1OPRK1
Hydrochloric Acid SCHEMBL2586592 0.78 LTA4H (0.46) OPRM1OPRK1
Hydrochloric Acid SCHEMBL2577021 0.77 OPRM1 (0.56) OPRM1OPRK1
SCHEMBL16155981 0.77 ADAM17 (0.40) ADAM17OPRM1
SCHEMBL2589516 0.76 LMNA (0.49) OPRM1OPRK1
Hydrochloric Acid SCHEMBL2590334 0.75 LMNA (0.48) OPRM1OPRK1
Hydrochloric Acid SCHEMBL2581407 0.75 OPRM1 (0.42) OPRM1OPRK1KDM2B

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-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 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-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 ADAM17 4036/4885OPRM1 3/4885OPRK1 2/4885

“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.