SCHEMBL2583630

SCHEMBL2583630

COC(=O)C(Cc1ccccc1)(Cc1ccccc1)CN1CCC(F)(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.46
FAAH O00519 1/20 0.40
MAOB P27338 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL16155981 0.91 ADAM17 (0.40) ADAM17FAAHOPRM1OPRL1
SCHEMBL2581589 0.86 ADAM17 (0.43) ADAM17OPRM1
SCHEMBL2590397 0.81 ADAM17 (0.49) ADAM17
SCHEMBL2594813 0.81 OPRM1 (0.48) OPRM1OPRL1
SCHEMBL12175527 0.79 OPRM1 (0.42) OPRM1
Hydrochloric Acid SCHEMBL2587755 0.78 OPRM1 (0.41) OPRM1
SCHEMBL2589017 0.78 S1PR5 (0.39) ADAM17MAOB
Hydrochloric Acid SCHEMBL2587759 0.74 HTT (0.54) OPRM1
SCHEMBL2589090 0.72 LMNA (0.56) FAAHOPRM1
Hydrochloric Acid SCHEMBL2581811 0.71 LMNA (0.55) OPRM1

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 4036/4885FAAH 135/4885MAOB 921/4885

“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.