SCHEMBL10005998

SCHEMBL10005998

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.57
▸ NPY4R P50391 10/20 0.56
▸ NPY5R Q15761 8/20 0.56
▸ NPY1R P25929 7/20 0.56
▸ NPY2R P49146 5/20 0.56
▸ KISS1R Q969F8 4/20 0.55
▸ IL23R Q5VWK5 1/20 0.54

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
SCHEMBL10005991 0.96 KISS1R (0.58) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL10006214 0.94 TFPI (0.55) TFPINPY4RNPY5RNPY1RIL23R
SCHEMBL10005969 0.94 NPY4R (0.59) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10005999 0.94 NPY4R (0.59) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10005986 0.94 NPY4R (0.59) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10006003 0.94 NPY4R (0.59) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10006027 0.93 NPY4R (0.58) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10005993 0.93 NPY4R (0.58) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10005978 0.92 NPY4R (0.57) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL10006025 0.92 NPY4R (0.57) TFPINPY4RNPY5RNPY1RNPY2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 — — EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 — — US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 — — EP disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 — — 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-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR TFPI 4429/4885NPY4R 4/4885NPY5R 6/4885

“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