SCHEMBL2084231

SCHEMBL2084231

CC(=O)OC1(C)CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.48
ALDH1A1 P00352 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL28943687 0.84 PREP (0.51) PREPALDH1A1OPRK1
SCHEMBL1816285 0.84 PREP (0.51) PREPALDH1A1OPRK1
SCHEMBL1816147 0.82 PREP (0.49) PREPALDH1A1OPRK1
SCHEMBL17293555 0.82 PREP (0.49) PREPALDH1A1OPRK1
SCHEMBL1189714 0.81 PREP (0.50) PREPALDH1A1OPRK1
SCHEMBL24555463 0.80 PREP (0.48) PREPALDH1A1OPRK1
SCHEMBL2084087 0.80 PREP (0.49) PREP
SCHEMBL2084198 0.78 PREP (0.48) PREP
SCHEMBL22811016 0.77 PREP (0.45) PREPALDH1A1OPRK1
SCHEMBL2084228 0.77 ALDH1A1 (0.44) PREPALDH1A1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A PREP 24/4885ALDH1A1 574/4885OPRK1 732/4885

“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.