SCHEMBL23710077

SCHEMBL23710077

N=C(N)NCCC[C@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCl)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 10/20 0.53
NMUR1 Q9HB89 9/20 0.53
OPRM1 P35372 6/20 0.51
OPRK1 P41145 6/20 0.51
EPHA2 P29317 3/20 0.50
CXCR4 P61073 1/20 0.47

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
SCHEMBL23700287 1.00 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL23700289 1.00 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL23700285 1.00 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL23700189 0.95 ABCB11 (0.50) NMUR2NMUR1OPRM1OPRK1
SCHEMBL23700187 0.95 ABCB11 (0.50) NMUR2NMUR1OPRM1OPRK1
SCHEMBL23700186 0.95 ABCB11 (0.50) NMUR2NMUR1OPRM1OPRK1
SCHEMBL23700339 0.94 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL23700350 0.94 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL23710105 0.94 NMUR2 (0.49) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL23700347 0.94 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRK1EPHA2

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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 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 (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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) PIN1, PPIA, PPIE NMUR2 4347/4885NMUR1 4239/4885OPRM1 3964/4885

“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.