SCHEMBL2591946

SCHEMBL2591946

CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)CC1.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.51
TACR1 P25103 1/20 0.50
CHRM4 P08173 1/20 0.50
ACHE P22303 1/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
STS P08842 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
OPRL1 P41146 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL240381 0.89 TSHR (0.57) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL12492710 0.85 ACHE (0.50) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL15595091 0.84 TSHR (0.53) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL14696654 0.82 OPRL1 (0.54) OPRD1OPRK1CHRM4OPRL1LMNA
SCHEMBL4672807 0.82 OPRD1 (0.53) OPRD1OPRK1TACR1CHRM4STS
SCHEMBL3893444 0.82 USP30 (0.51) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL19839792 0.81 ACHE (0.49) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL351086 0.81 TSHR (0.52) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL13771539 0.81 TSHR (0.52) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL18785443 0.81 ACHE (0.47) OPRD1OPRK1TSHRALOX15ATM

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 OPRD1 1/4885OPRK1 2/4885TSHR 282/4885

“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.