SCHEMBL2582728

SCHEMBL2582728

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
YAP1 P46937 3/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
ALDH1A1 P00352 3/20 0.47
NOS2 P35228 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
FAAH O00519 1/20 0.45
ATM Q13315 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
SCHEMBL8398896 0.90 YAP1 (0.49) TACR1OPRD1OPRK1YAP1CYP4F2
SCHEMBL4672807 0.88 OPRD1 (0.53) TACR1OPRD1OPRK1YAP1GPR119
SCHEMBL8317190 0.87 NOS2 (0.58) OPRD1OPRK1CYP4F2CYP4A11ALDH1A1
SCHEMBL2587746 0.86 ALDH1A1 (0.50) OPRD1OPRK1CYP4F2CYP4A11ALDH1A1
SCHEMBL1979306 0.84 YAP1 (0.49) TACR1OPRD1OPRK1YAP1GPR119
SCHEMBL5240524 0.83 ALDH1A1 (0.65) OPRD1OPRK1ALDH1A1ALOX15TSHR
SCHEMBL12168279 0.82 OPRM1 (0.49) TACR1OPRD1OPRK1YAP1
SCHEMBL8243407 0.82 OPRM1 (0.49) TACR1OPRD1OPRK1YAP1
SCHEMBL4412901 0.82 OPRD1 (0.51) TACR1OPRD1OPRK1CYP4F2CYP4A11
SCHEMBL240381 0.82 TSHR (0.57) TACR1OPRD1OPRK1ALDH1A1GPR119

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 TACR1 136/4885OPRD1 1/4885OPRK1 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.