SCHEMBL4086556

SCHEMBL4086556

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 18/20 0.55
NPY1R P25929 12/20 0.55
NPY5R Q15761 10/20 0.55
NPY2R P49146 8/20 0.55
KISS1R Q969F8 1/20 0.36

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
SCHEMBL4262648 0.87 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4099155 0.84 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29947151 0.84 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29947137 0.84 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL27639946 0.84 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29655324 0.84 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29947104 0.84 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30531637 0.83 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4086550 0.83 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL4257066 0.83 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKISS1R

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-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

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 NPY4R 1014/4885NPY1R 2090/4885NPY5R 1564/4885

“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.