SCHEMBL2957820

SCHEMBL2957820

CNC(=O)c1cccc(-c2ccc(C(CN3CCCC3)NCC(=O)CN(CC(N)=O)c3ccc(Cl)c(Cl)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.52
OPRK1 P41145 10/20 0.52
CYP3A4 P08684 7/20 0.52
CYP2D6 P10635 7/20 0.52
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37

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
SCHEMBL3103255 0.93 OPRK1 (0.60) UTS2ROPRK1CYP3A4CYP2D6ROCK2
SCHEMBL2953935 0.90 UTS2R (0.55) UTS2ROPRK1CYP3A4CYP2D6ROCK2
SCHEMBL3117129 0.88 OPRK1 (0.56) UTS2ROPRK1CYP3A4CYP2D6
SCHEMBL3109022 0.85 OPRK1 (0.51) UTS2ROPRK1CYP3A4CYP2D6
SCHEMBL2957823 0.85 OPRK1 (0.72) UTS2ROPRK1CYP3A4CYP2D6
SCHEMBL2955680 0.85 OPRK1 (0.72) UTS2ROPRK1CYP3A4CYP2D6
SCHEMBL2954070 0.84 OPRK1 (0.73) UTS2ROPRK1CYP3A4CYP2D6ROCK2
SCHEMBL3094893 0.83 UTS2R (0.48) UTS2ROPRK1CYP3A4CYP2D6
SCHEMBL3094749 0.83 UTS2R (0.54) UTS2ROPRK1CYP3A4CYP2D6
SCHEMBL2953767 0.83 UTS2R (0.57) UTS2ROPRK1CYP3A4CYP2D6

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 UTS2R 1/4885OPRK1 207/4885CYP3A4 4049/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 UTS2R 1/4885OPRK1 207/4885CYP3A4 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.