SCHEMBL13723920

SCHEMBL13723920

CC(C)C[C@H](NC(=O)[C@@H](N)[C@H](O)C(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.59
OPRD1 P41143 4/20 0.59
OPRK1 P41145 1/20 0.59
KEAP1 Q14145 1/20 0.52
KISS1R Q969F8 3/20 0.51
TFPI P10646 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NPY4R P50391 1/20 0.50
NPY5R Q15761 1/20 0.50
OPRL1 P41146 2/20 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
SCHEMBL13723042 0.95 OPRM1 (0.54) OPRM1OPRD1OPRK1KEAP1KISS1R
SCHEMBL16325253 0.93 OPRM1 (0.59) OPRM1OPRD1OPRK1KISS1R
SCHEMBL13723356 0.92 OPRM1 (0.47) OPRM1OPRD1OPRK1KEAP1NPY1R
SCHEMBL13724212 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1KEAP1TFPI
SCHEMBL13722789 0.88 OPRM1 (0.48) OPRM1OPRD1OPRK1KEAP1KISS1R
SCHEMBL2373308 0.88 NPY4R (0.50) OPRM1OPRD1OPRK1KEAP1NPY1R
SCHEMBL13723352 0.87 OPRM1 (0.44) OPRM1OPRD1OPRK1KEAP1NPY1R
SCHEMBL13723037 0.87 OPRM1 (0.44) OPRM1OPRD1OPRK1KEAP1
SCHEMBL13723358 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1KEAP1KISS1R
SCHEMBL13724377 0.87 OPRM1 (0.53) OPRM1OPRD1OPRK1KEAP1KISS1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST OPRM1 1981/4885OPRD1 2570/4885OPRK1 3341/4885

“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.