SCHEMBL3503977

SCHEMBL3503977

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 4/20 0.52
▸ NPY5R Q15761 4/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NOD1 Q9Y239 3/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ GNPAT O15228 1/20 0.46
▸ GLP1R P43220 6/20 0.45
▸ FOLH1 Q04609 2/20 0.45
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44

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
SCHEMBL14351275 1.00 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL2150776 0.99 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL3651453 0.94 NOD1 (0.55) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304345 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304352 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304354 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304348 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304349 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304347 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL17304342 0.94 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2RNOD1

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-20100222269-A1 IMPROVED DERIVATIVES OF AMYLIN NOVO NORDISK A/S (DK) 2010-09-02 — — US disclosed
EP-2190871-A1 IMPROVED DERIVATIVES OF AMYLIN Novo Nordisk A/S (DK) 2010-06-02 — — EP disclosed
WO-2009034119-A1 IMPROVED DERIVATIVES OF AMYLIN NOVO NORDISK A/S (DK) 2009-03-19 — — 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-20100222269-A1 IMPROVED DERIVATIVES OF AMYLIN IAPP, GLP1R, ALB NPY4R 190/4885NPY5R 223/4885NPY1R 194/4885

“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.

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