SCHEMBL4757583

SCHEMBL4757583

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.54
AGTR1 P30556 1/20 0.53
AGTR2 P50052 1/20 0.53
NTSR1 P30989 8/20 0.51
NTSR2 O95665 5/20 0.51
REN P00797 3/20 0.50
SORT1 Q99523 4/20 0.50
ANPEP P15144 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CALCR P30988 1/20 0.49

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
SCHEMBL4757100 1.00 F2 (0.54) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL4757113 0.93 LNPEP (0.57) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL13956108 0.93 AGTR1 (0.54) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL4757573 0.93 AGTR1 (0.54) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL4756905 0.91 LNPEP (0.59) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL13082277 0.87 NTSR1 (0.50) AGTR1AGTR2NTSR1NTSR2REN
SCHEMBL4757104 0.86 AGTR1 (0.57) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL9010601 0.85 LNPEP (0.64) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL9010597 0.85 LNPEP (0.64) F2AGTR1AGTR2NTSR1NTSR2
SCHEMBL4757576 0.85 LNPEP (0.59) F2AGTR1AGTR2NTSR1NTSR2

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-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
WO-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 WO 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-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP IAPP, ANPEP, ENPEP F2 4468/4885AGTR1 1364/4885AGTR2 1617/4885

“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.