SCHEMBL4086887

SCHEMBL4086887

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.40
NPY2R P49146 2/20 0.40
NPY4R P50391 2/20 0.40
NPY5R Q15761 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
BACE1 P56817 1/20 0.39
ENPEP Q07075 4/20 0.39
RXFP4 Q8TDU9 1/20 0.39
RXFP3 Q9NSD7 1/20 0.39

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
SCHEMBL4086892 1.00 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5RRXFP1
SCHEMBL4082293 0.96 NPY4R (0.41) NPY1RNPY2RNPY4RNPY5RENPEP
SCHEMBL4082284 0.96 NPY4R (0.41) NPY1RNPY2RNPY4RNPY5RENPEP
SCHEMBL31757511 0.92 RXFP1 (0.46) NPY1RNPY2RNPY4RNPY5RRXFP1
SCHEMBL4092981 0.92 NPY4R (0.48) NPY1RNPY2RNPY4RNPY5RRXFP1
SCHEMBL4092974 0.92 NPY4R (0.48) NPY1RNPY2RNPY4RNPY5RRXFP1
SCHEMBL4093294 0.91 OPRM1 (0.46)
SCHEMBL4093290 0.91 OPRM1 (0.46)
SCHEMBL27745761 0.91 ENPEP (0.45) NPY1RNPY2RNPY4RNPY5RENPEP
SCHEMBL30518992 0.90 RXFP1 (0.46) NPY1RNPY2RNPY4RNPY5RRXFP1

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 NPY1R 2090/4885NPY2R 2145/4885NPY4R 1014/4885

“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.