SCHEMBL13402448

SCHEMBL13402448

CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCCCCN

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 8/20 0.59
▸ OPRM1 P35372 7/20 0.59
▸ STAT3 P40763 1/20 0.52
▸ NMUR2 Q9GZQ4 2/20 0.52
▸ NMUR1 Q9HB89 2/20 0.52
▸ REN P00797 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ PLG P00747 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ OPRD1 P41143 1/20 0.48

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
SCHEMBL13402532 0.92 OPRM1 (0.61) OPRK1OPRM1NMUR2NMUR1OPRD1
SCHEMBL13437225 0.90 OPRM1 (0.59) OPRK1OPRM1STAT3NMUR2NMUR1
SCHEMBL13402435 0.88 STAT3 (0.57) OPRK1OPRM1STAT3NMUR2NMUR1
SCHEMBL13402433 0.86 STAT3 (0.56) OPRK1OPRM1STAT3NMUR2NMUR1
SCHEMBL13402526 0.84 NMUR2 (0.62) OPRK1OPRM1NMUR2NMUR1OPRD1
SCHEMBL13402515 0.84 OPRM1 (0.56) OPRK1OPRM1NMUR2NMUR1MMP1
SCHEMBL13402527 0.84 OPRM1 (0.54) OPRK1OPRM1NMUR2NMUR1MMP1
SCHEMBL13402497 0.84 OPRM1 (0.65) OPRK1OPRM1NMUR2NMUR1
SCHEMBL13402662 0.82 NMUR2 (0.55) OPRK1OPRM1NMUR2NMUR1PLG
SCHEMBL20174018 0.80 OPRK1 (0.59) OPRK1OPRM1NMUR2NMUR1MMP1

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-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS CHAPERONE TECHNOLOGIES, INC. 2010-04-08 — — US disclosed
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 OPRK1 3373/4885OPRM1 4746/4885STAT3 946/4885

“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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