SCHEMBL13402663

SCHEMBL13402663

CCCCCCCCNC(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 8/20 0.56
▸ NMUR1 Q9HB89 8/20 0.56
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 6/20 0.55
▸ APLNR P35414 1/20 0.48
▸ REN P00797 1/20 0.47
▸ EPHA2 P29317 2/20 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
SCHEMBL13437122 0.94 OPRM1 (0.57) NMUR2NMUR1OPRM1OPRK1REN
SCHEMBL13402651 0.91 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402652 0.91 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402656 0.85 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402662 0.83 NMUR2 (0.55) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402497 0.81 OPRM1 (0.65) NMUR2NMUR1OPRM1OPRK1
SCHEMBL13437225 0.79 OPRM1 (0.59) NMUR2NMUR1OPRM1OPRK1
SCHEMBL13402665 0.77 NMUR2 (0.51) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL31588354 0.77 OPRM1 (0.61) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL13402667 0.76 NMUR2 (0.50) NMUR2NMUR1OPRM1OPRK1APLNR

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-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS CHAPERONE TECHNOLOGIES, INC. 2010-04-08 — — 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-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS HSP90AB2P, HSPH1, HSP90AB1 NMUR2 4123/4885NMUR1 3964/4885OPRM1 4746/4885

“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.

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