SCHEMBL13402667

SCHEMBL13402667

CCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCCC(CNC(=N)N)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 10/20 0.50
▸ NMUR1 Q9HB89 10/20 0.50
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ STAT3 P40763 1/20 0.46
▸ APLNR P35414 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ ACE2 Q9BYF1 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
SCHEMBL13437227 0.91 STAT3 (0.56) NMUR2NMUR1OPRM1OPRK1STAT3
SCHEMBL13402659 0.90 STAT3 (0.47) NMUR2NMUR1OPRM1OPRK1STAT3
SCHEMBL13402662 0.88 NMUR2 (0.55) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402656 0.86 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402652 0.85 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402651 0.85 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13402665 0.79 NMUR2 (0.51) NMUR2NMUR1OPRM1OPRK1APLNR
SCHEMBL13437225 0.77 OPRM1 (0.59) NMUR2NMUR1OPRM1OPRK1STAT3
SCHEMBL13402497 0.77 OPRM1 (0.65) NMUR2NMUR1OPRM1OPRK1
SCHEMBL13402663 0.76 NMUR2 (0.56) 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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