SCHEMBL4301705

SCHEMBL4301705

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(F)C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.52
▸ OPRM1 P35372 8/20 0.51
▸ OPRK1 P41145 8/20 0.51
▸ CXCR4 P61073 1/20 0.50
▸ APLNR P35414 2/20 0.50
▸ KEAP1 Q14145 2/20 0.48
▸ KDM1A O60341 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ NTSR1 P30989 1/20 0.46

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
SCHEMBL4807584 0.92 APLNR (0.56) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL4807604 0.92 APLNR (0.56) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL4303904 0.91 OPRM1 (0.54) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL4804787 0.90 APLNR (0.55) OPRM1OPRK1CXCR4APLNRCTSL
SCHEMBL4804770 0.90 APLNR (0.55) OPRM1OPRK1CXCR4APLNRCTSL
SCHEMBL1029686 0.89 MC4R (0.51) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL1029282 0.88 OPRM1 (0.52) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL31510401 0.88 APLNR (0.53) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL1028425 0.88 OPRM1 (0.51) MC4ROPRM1OPRK1CXCR4APLNR
SCHEMBL1028505 0.87 OPRM1 (0.56) MC4ROPRM1OPRK1CXCR4APLNR

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 MC4R 999/4885OPRM1 242/4885OPRK1 572/4885

“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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