SCHEMBL19780925

SCHEMBL19780925

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.56
▸ CMA1 P23946 6/20 0.51
▸ AGTR1 P30556 3/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ LNPEP Q9UIQ6 4/20 0.50
▸ ANPEP P15144 2/20 0.50

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
SCHEMBL17287127 0.92 REN (0.51) RENCMA1AGTR1AGTR2LNPEP
SCHEMBL18699907 0.92 REN (0.52) RENCMA1AGTR1AGTR2LNPEP
SCHEMBL29566322 0.85 CMA1 (0.53) RENCMA1
SCHEMBL17274225 0.84 REN (0.47) RENAGTR1AGTR2LNPEPANPEP
Angiotensin Iv SCHEMBL4322236 0.83 LNPEP (0.68) RENAGTR1AGTR2LNPEPANPEP
Angiotensin Iv SCHEMBL4322224 0.83 LNPEP (0.68) RENAGTR1AGTR2LNPEPANPEP
SCHEMBL11204440 0.83 LNPEP (0.60) AGTR1AGTR2LNPEPANPEP
SCHEMBL11204436 0.83 LNPEP (0.60) AGTR1AGTR2LNPEPANPEP
SCHEMBL17274191 0.83 LNPEP (0.53) AGTR1AGTR2LNPEPANPEP
SCHEMBL19780600 0.83 C5AR1 (0.52) AGTR1AGTR2

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-20180016301-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2018-01-18 — — 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-20180016301-A1 Synthesis of Beta-Arrestin Effectors ARRB1, ADRB1, ADRB3 REN 666/4885CMA1 3510/4885AGTR1 98/4885

“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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