SCHEMBL3103255

SCHEMBL3103255

NC(=O)CN(CC(=O)CNC(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.60
UTS2R Q9UKP6 8/20 0.60
CYP3A4 P08684 5/20 0.60
CYP2D6 P10635 5/20 0.60
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
OPRD1 P41143 3/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL2957820 0.93 UTS2R (0.52) OPRK1UTS2RCYP3A4CYP2D6ROCK2
SCHEMBL3117129 0.93 OPRK1 (0.56) OPRK1UTS2RCYP3A4CYP2D6OPRD1
SCHEMBL2954070 0.91 OPRK1 (0.73) OPRK1UTS2RCYP3A4CYP2D6DPP4
SCHEMBL3109022 0.87 OPRK1 (0.51) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL3109146 0.86 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6RPS6KB1
SCHEMBL3106333 0.85 OPRK1 (0.64) OPRK1UTS2RCYP3A4CYP2D6DPP4
SCHEMBL3111936 0.84 UTS2R (0.55) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL2956624 0.84 UTS2R (0.58) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL2957692 0.83 OPRK1 (0.83) OPRK1UTS2RCYP3A4CYP2D6OPRD1
SCHEMBL2955694 0.83 OPRK1 (0.83) OPRK1UTS2RCYP3A4CYP2D6OPRD1

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.