SCHEMBL17274191

SCHEMBL17274191

CCCCOC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(C)CC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 8/20 0.53
▸ ANPEP P15144 3/20 0.53
▸ AGTR1 P30556 3/20 0.50
▸ AGTR2 P50052 1/20 0.48
▸ NTSR2 O95665 8/20 0.48
▸ NTSR1 P30989 8/20 0.48
▸ SORT1 Q99523 7/20 0.47
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ NPY5R Q15761 1/20 0.46

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
SCHEMBL11204436 0.91 LNPEP (0.60) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL11204440 0.91 LNPEP (0.60) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL17287127 0.91 REN (0.51) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL29602804 0.88 LNPEP (0.59) LNPEPANPEPAGTR1AGTR2NTSR2
Angiotensin Iv SCHEMBL4322224 0.87 LNPEP (0.68) LNPEPANPEPAGTR1AGTR2NTSR2
Angiotensin Iv SCHEMBL4322236 0.87 LNPEP (0.68) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL4756905 0.85 LNPEP (0.59) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL9010597 0.85 LNPEP (0.64) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL9010601 0.85 LNPEP (0.64) LNPEPANPEPAGTR1AGTR2NTSR2
SCHEMBL17287131 0.84 AGTR1 (0.51) AGTR1AGTR2NTSR2NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611293-B2 Synthesis of beta-arrestin effectors TREVENA, INC. (US) 2017-04-04 — — US disclosed
WO-2015179349-A2 SYNTHESIS OF BETA-ARRESTIN EFFECTORS TREVENA, INC. (US) 2015-11-26 — — WO disclosed
US-20150329593-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2015-11-19 — — 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-20150329593-A1 Synthesis of Beta-Arrestin Effectors ARRB1, ADRB1, ADRB3 LNPEP 3533/4885ANPEP 2516/4885AGTR1 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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