SCHEMBL17722502

SCHEMBL17722502

NC(=O)C[C@H](NC(=O)[C@@H](N)[C@@H](S)C(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49

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
SCHEMBL17722474 0.96 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL17722494 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1
SCHEMBL17722503 0.92 OPRM1 (0.49) OPRM1OPRD1OPRK1
SCHEMBL17722487 0.91 SLC6A2 (0.52) OPRM1OPRD1OPRK1
SCHEMBL17722475 0.90 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL17722504 0.88 ANPEP (0.55) —
SCHEMBL17722501 0.88 OPRM1 (0.47) OPRM1OPRD1
SCHEMBL17722488 0.88 OPRM1 (0.49) OPRM1OPRD1OPRK1
SCHEMBL17722493 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1
SCHEMBL17722485 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1

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-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — 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-20160122383-A1 Peptide Ligation PTMS, PTMA, QPCTL OPRM1 1164/4885OPRD1 806/4885OPRK1 1762/4885

“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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