SCHEMBL2957289

SCHEMBL2957289

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.57
UTS2R Q9UKP6 10/20 0.57
CYP3A4 P08684 7/20 0.57
CYP2D6 P10635 7/20 0.57
AKT1 P31749 3/20 0.38
RPS6KB1 P23443 3/20 0.37
AURKB Q96GD4 3/20 0.37
INCENP Q9NQS7 2/20 0.37
OPRM1 P35372 1/20 0.35
CHRM3 P20309 1/20 0.35
AURKA O14965 1/20 0.34
KCNK3 O14649 1/20 0.34

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
SCHEMBL3105170 0.94 OPRK1 (0.50) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL3109146 0.90 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL2950975 0.89 UTS2R (0.72) OPRK1UTS2RCYP3A4CYP2D6AKT1
SCHEMBL2948059 0.85 OPRK1 (0.61) OPRK1UTS2RCYP3A4CYP2D6OPRM1
SCHEMBL2955385 0.85 OPRK1 (0.61) OPRK1UTS2RCYP3A4CYP2D6OPRM1
SCHEMBL2957290 0.85 OPRK1 (0.80) OPRK1UTS2RCYP3A4CYP2D6OPRM1
SCHEMBL2953736 0.84 OPRK1 (0.62) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL2953935 0.83 UTS2R (0.55) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL3110855 0.82 CYP3A4 (0.62) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL2956327 0.82 UTS2R (0.56) 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 3 patents. 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
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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 (2 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
US-20090275571-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.