SCHEMBL4099729

SCHEMBL4099729

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 6/20 0.32
NPY1R P25929 4/20 0.32
NPY2R P49146 2/20 0.32
NPY5R Q15761 2/20 0.32

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
SCHEMBL4082690 0.92 ENPEP (0.35)
SCHEMBL4088814 0.86 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5R
SCHEMBL4082227 0.86 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5R
SCHEMBL25413181 0.86 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL4094351 0.85 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL2194048 0.81 NPY5R (0.38) NPY4RNPY1RNPY5R
SCHEMBL6376396 0.81 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5R
SCHEMBL2206617 0.81 DPP4 (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL27485128 0.80 ENPEP (0.34) NPY4RNPY1RNPY2RNPY5R
SCHEMBL5065724 0.80 SIRT2 (0.36)

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 2090/4885NPY2R 2145/4885

“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.