SCHEMBL3109146

SCHEMBL3109146

NC(=O)CN(CC(=O)CNC(CN1CCCC1)c1ccc(-c2ccccc2C(N)=O)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.45
UTS2R Q9UKP6 9/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2D6 P10635 6/20 0.45
AKT1 P31749 6/20 0.39
RPS6KB1 P23443 4/20 0.39
AURKB Q96GD4 4/20 0.39
INCENP Q9NQS7 3/20 0.39
OPRM1 P35372 3/20 0.38
AURKA O14965 1/20 0.36
OPRD1 P41143 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2957289 0.90 OPRK1 (0.57) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL3117129 0.88 OPRK1 (0.56) OPRK1UTS2RCYP3A4CYP2D6OPRM1
SCHEMBL3103255 0.86 OPRK1 (0.60) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL3114714 0.85 OPRK1 (0.48) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL3109022 0.84 OPRK1 (0.51) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL3105170 0.84 OPRK1 (0.50) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL2953730 0.84 OPRK1 (0.56) OPRK1UTS2RCYP3A4CYP2D6RPS6KB1
SCHEMBL2953425 0.83 OPRK1 (0.64) OPRK1UTS2RCYP3A4CYP2D6OPRM1
SCHEMBL2957541 0.83 OPRK1 (0.64) OPRK1UTS2RCYP3A4CYP2D6OPRM1
SCHEMBL2957820 0.82 UTS2R (0.52) OPRK1UTS2RCYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 OPRK1 207/4885UTS2R 1/4885CYP3A4 4049/4885

“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.