SCHEMBL6470040

SCHEMBL6470040

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.52
NPY1R P25929 10/20 0.52
NPY5R Q15761 9/20 0.52
NPY2R P49146 6/20 0.52
FURIN P09958 3/20 0.42
PCSK6 P29122 1/20 0.42
RXFP1 Q9HBX9 1/20 0.39
PRSS1 P07477 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
SCHEMBL2185394 0.89 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30881172 0.87 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL3459809 0.87 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL3459806 0.87 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL30068491 0.84 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16468902 0.84 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2189528 0.83 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30486089 0.83 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL31665975 0.82 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL31031482 0.82 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R

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-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-03-17 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-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MMP3, MMP10, MMP25 NPY4R 4781/4885NPY1R 4585/4885NPY5R 4490/4885

“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.