SCHEMBL10014822

SCHEMBL10014822

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)CCCN1C(=O)C=CC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[C@@H](NN[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CCCCN)NC(=O)C(CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C(CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](C)NN1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)C(=O)[C@H](CCC(N)=O)NNCC(=O)C(=O)[C@H](Cc1ccc(O)cc1)NN)[C@@H](C)CC)C(C)C)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 9/20 0.58
NPY4R P50391 8/20 0.58
NPY5R Q15761 8/20 0.58
NPY1R P25929 7/20 0.58
TFPI P10646 7/20 0.56
VIPR1 P32241 2/20 0.53
VIPR2 P41587 1/20 0.53
GLP1R P43220 1/20 0.52

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
SCHEMBL10014808 0.83 TFPI (0.49) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29399759 0.76 NPY2R (0.89) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30121639 0.75 NPY2R (0.92) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL15669203 0.75 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30397368 0.75 NPY2R (0.82) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL15669269 0.74 NPY2R (0.76) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL4331434 0.74 NPY2R (0.75) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30735721 0.74 NPY2R (0.77) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29436010 0.74 NPY2R (0.77) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29411681 0.74 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1RTFPI

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-20120039843-A1 CONJUGATES OF A POLYPEPTIDE AND AN OLIGOSACCHARIDE N.V. ORGANON (NL) 2012-02-16 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-20120039843-A1 CONJUGATES OF A POLYPEPTIDE AND AN OLIGOSACCHARIDE SERPINC1, SELP, F13B NPY2R 811/4885NPY4R 424/4885NPY5R 921/4885

“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.