SCHEMBL2591944

SCHEMBL2591944

CC(C)(C)OC(=O)N1CCC(O)(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.50
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.44
CHRM4 P08173 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTPN1 P18031 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
NOS2 P35228 1/20 0.41
STS P08842 1/20 0.41
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP4F2 P78329 1/20 0.40

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
SCHEMBL14696653 0.85 PTPN1 (0.48) OPRD1OPRK1CHRM4CRHBPCRHR2
SCHEMBL3019493 0.84 TSHR (0.44) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL4412901 0.82 OPRD1 (0.51) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL240381 0.81 TSHR (0.57) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL2582728 0.80 TACR1 (0.51) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL8610935 0.80 USP30 (0.56) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL6307124 0.80 CYP11B2 (0.41) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL4293214 0.79 OPRM1 (0.49) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL2591946 0.78 OPRD1 (0.53) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL6160544 0.78 CNR1 (0.47) TACR1OPRD1OPRK1TSHRALOX15

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.