SCHEMBL4303904

SCHEMBL4303904

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CC(Cc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.54
▸ OPRK1 P41145 12/20 0.54
▸ MC4R P32245 1/20 0.54
▸ APLNR P35414 2/20 0.53
▸ CXCR4 P61073 1/20 0.51
▸ C5AR1 P21730 1/20 0.49
▸ KDM1A O60341 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
SCHEMBL1029686 0.95 MC4R (0.51) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL4301705 0.91 MC4R (0.52) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL197800 0.90 APLNR (0.49) OPRM1OPRK1MC4RAPLNRC5AR1
SCHEMBL4807604 0.89 APLNR (0.56) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL4807584 0.89 APLNR (0.56) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL1029282 0.88 OPRM1 (0.52) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL1030624 0.88 OPRM1 (0.55) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL1028505 0.87 OPRM1 (0.56) OPRM1OPRK1MC4RAPLNRCXCR4
SCHEMBL4804770 0.87 APLNR (0.55) OPRM1OPRK1APLNRCXCR4
SCHEMBL4804787 0.87 APLNR (0.55) OPRM1OPRK1APLNRCXCR4

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-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 — — 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-20090286739-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NPR3, RXFP3, RXFP1 OPRM1 242/4885OPRK1 572/4885MC4R 999/4885

“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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