SCHEMBL10079193

SCHEMBL10079193

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 7/20 0.64
▸ NPY2R P49146 5/20 0.64
▸ NMUR2 Q9GZQ4 3/20 0.63
▸ NMUR1 Q9HB89 3/20 0.63
▸ KISS1R Q969F8 2/20 0.56
▸ TFPI P10646 1/20 0.53

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
SCHEMBL10078742 0.87 NMUR2 (0.68) NPY4RNPY5RNPY1RNPY2RNMUR2
SCHEMBL12697275 0.81 NMUR2 (0.61) NPY4RNPY5RNPY1RNPY2RNMUR2
SCHEMBL17226117 0.81 NMUR2 (0.58) NPY4RNPY5RNPY1RNPY2RNMUR2
SCHEMBL2632668 0.80 NMUR2 (0.73) NMUR2NMUR1
SCHEMBL10079188 0.79 NMUR2 (0.70) NPY4RNPY5RNPY1RNPY2RNMUR2
SCHEMBL10078439 0.79 NMUR2 (0.56) NPY4RNPY5RNPY1RNPY2RNMUR2
SCHEMBL17226128 0.78 NMUR2 (0.66) NPY4RNPY5RNPY1RNPY2RNMUR2
SCHEMBL6470874 0.77 NPY4R (0.72) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL6470860 0.77 NPY4R (0.72) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL31141457 0.77 TFPI (0.70) NPY4RNPY5RNPY1RNPY2RKISS1R

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-20120094898-A1 PEPTIDE 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-20120094898-A1 PEPTIDE DERIVATIVE NPPA, LNPEP, NGLY1 NPY4R 188/4885NPY5R 322/4885NPY1R 411/4885

“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.

Send feedback