SCHEMBL2587746

SCHEMBL2587746

O=C(O)N1CCC(O)(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NR4A2 P43354 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
ADAM17 P78536 2/20 0.47
ABCB1 P08183 1/20 0.47
MAOB P27338 1/20 0.47
FAAH O00519 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
NOS2 P35228 1/20 0.46
NAAA Q02083 1/20 0.46

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
SCHEMBL8317190 0.90 NOS2 (0.58) ALDH1A1NR4A2CYP4F2CYP4A11FAAH
SCHEMBL2582728 0.86 TACR1 (0.51) ALDH1A1CYP4F2CYP4A11FAAHOPRD1
SCHEMBL6042553 0.84 OPRL1 (0.66) ALDH1A1FAAHOPRL1
SCHEMBL6584414 0.83 CYP4F2 (0.51) NR4A2CYP4F2CYP4A11ADAM17MAOB
SCHEMBL2959082 0.83 CYP4F2 (0.51) NR4A2CYP4F2CYP4A11ADAM17MAOB
SCHEMBL2579926 0.81 OPRD1 (0.48) ALDH1A1ADAM17OPRM1OPRD1OPRK1
SCHEMBL18656530 0.81 S1PR5 (0.45) ALDH1A1NR4A2ABCB1MAOB
SCHEMBL2588266 0.81 ALDH1A1 (0.73) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9217663 0.80 ALOX5 (0.61) ALDH1A1
SCHEMBL4407004 0.79 MEN1 (0.47) ALDH1A1CYP4F2CYP4A11OPRM1OPRD1

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 ALDH1A1 1107/4885NR4A2 523/4885CYP4F2 604/4885

“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.