SCHEMBL2628482

SCHEMBL2628482

COCCOCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)C[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 14/20 0.56
NMUR1 Q9HB89 14/20 0.56
KISS1R Q969F8 3/20 0.43
NPY4R P50391 3/20 0.41
NPY1R P25929 2/20 0.41
NPY5R Q15761 2/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL2628477 0.90 NMUR2 (0.58) NMUR2NMUR1KISS1RNPY4RNPY1R
SCHEMBL17226128 0.85 NMUR2 (0.66) NMUR2NMUR1KISS1RNPY4RNPY1R
SCHEMBL2625078 0.85 NMUR2 (0.47) NMUR2NMUR1KISS1RNPY4RNPY1R
SCHEMBL2625075 0.85 NMUR2 (0.53) NMUR2NMUR1KISS1RNPY4RNPY1R
SCHEMBL2628481 0.84 NMUR2 (0.50) NMUR2NMUR1KISS1RNPY4RNPY1R
SCHEMBL2625064 0.82 NMUR2 (0.64) NMUR2NMUR1NPY1R
SCHEMBL2628480 0.81 KISS1R (0.54) KISS1R
SCHEMBL2628468 0.80 NMUR2 (0.53) NMUR2NMUR1
SCHEMBL17226120 0.80 NPY5R (0.58) NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL2628463 0.79 NMUR2 (0.63) NMUR2NMUR1NPY1R

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-9175037-B2 Neuromedin U derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-03 US disclosed
US-20120094899-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 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-20120094899-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR NMUR2 2/4885NMUR1 1/4885KISS1R 594/4885

“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.