SCHEMBL4757573

SCHEMBL4757573

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(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 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.54
AGTR2 P50052 1/20 0.54
LNPEP Q9UIQ6 5/20 0.51
ANPEP P15144 3/20 0.51
F2 P00734 4/20 0.51
REN P00797 4/20 0.50
NTSR2 O95665 1/20 0.48
NTSR1 P30989 1/20 0.48
SLC6A2 P23975 1/20 0.47

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
SCHEMBL13956108 1.00 AGTR1 (0.54) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL4756905 0.93 LNPEP (0.59) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL4757540 0.93 LNPEP (0.59) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL4757576 0.93 LNPEP (0.59) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL4757583 0.93 F2 (0.54) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL4757100 0.93 F2 (0.54) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL4757106 0.92 LNPEP (0.54) AGTR1AGTR2LNPEPANPEPF2
SCHEMBL13082283 0.86 AGTR1 (0.51) AGTR1AGTR2LNPEPANPEPREN
Angiotensin Iv SCHEMBL4322236 0.86 LNPEP (0.68) AGTR1AGTR2LNPEPANPEPF2
Angiotensin Iv SCHEMBL4322224 0.86 LNPEP (0.68) AGTR1AGTR2LNPEPANPEPF2

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 AGTR1 1364/4885AGTR2 1617/4885LNPEP 12/4885

“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.