SCHEMBL10005970

SCHEMBL10005970

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=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 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 3/20 0.58
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ KDM1A O60341 2/20 0.57
▸ EP300 Q09472 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ NPY2R P49146 7/20 0.55
▸ NPY4R P50391 7/20 0.55
▸ NPY5R Q15761 7/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ NMUR2 Q9GZQ4 2/20 0.55
▸ NMUR1 Q9HB89 2/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55

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 0.90 KISS1R (0.58) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10005969 0.88 NPY4R (0.59) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10005999 0.88 NPY4R (0.59) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10006003 0.88 NPY4R (0.59) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10005986 0.88 NPY4R (0.59) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10005993 0.87 NPY4R (0.58) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10006027 0.87 NPY4R (0.58) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10005978 0.86 NPY4R (0.57) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10006025 0.86 NPY4R (0.57) KISS1RNPY2RNPY4RNPY5RNPY1R
SCHEMBL10005998 0.86 TFPI (0.57) KISS1RNPY2RNPY4RNPY5RNPY1R

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 KISS1R 88/4885MAPK8 1608/4885MAPK9 1483/4885

“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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