SCHEMBL22912577

SCHEMBL22912577

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@@H](CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 4/20 0.53
▸ AGTR1 P30556 1/20 0.53
▸ C5AR1 P21730 2/20 0.50
▸ MC4R P32245 1/20 0.49
▸ F2 P00734 4/20 0.49
▸ NTSR1 P30989 5/20 0.48
▸ NTSR2 O95665 3/20 0.48
▸ SORT1 Q99523 2/20 0.47
▸ EPHA2 P29317 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 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
SCHEMBL22197758 0.96 C5AR1 (0.50) AGTR2AGTR1C5AR1MC4RF2
SCHEMBL22912571 0.95 C5AR1 (0.54) AGTR2AGTR1C5AR1MC4RF2
SCHEMBL22197757 0.92 C5AR1 (0.51) AGTR2AGTR1C5AR1MC4RF2
Talfirastide SCHEMBL15926158 0.92 AGTR1 (0.59) AGTR2AGTR1C5AR1MC4RF2
SCHEMBL29701258 0.92 AGTR2 (0.55) AGTR2AGTR1C5AR1MC4RF2
SCHEMBL7052378 0.89 AGTR2 (0.65) AGTR2AGTR1C5AR1F2NTSR1
SCHEMBL9510693 0.88 AGTR1 (0.60) AGTR2AGTR1C5AR1MC4RF2
SCHEMBL29701256 0.88 AGTR2 (0.65) AGTR2AGTR1C5AR1F2NTSR1
SCHEMBL29972916 0.88 AGTR1 (0.62) AGTR2AGTR1C5AR1F2NTSR1
Angiotensin Ii SCHEMBL22125774 0.88 AGTR2 (0.69) AGTR2AGTR1C5AR1F2NTSR1

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-20210024578-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO UNIVERSITY COLLEGE DUBLIN (IE) 2021-01-28 — — 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-20210024578-A1 ANGIOTENSIN-(1-7) ANALOGS AND METHODS RELATING THERETO ACE, AGT, ACE2 AGTR2 6/4885AGTR1 4/4885C5AR1 306/4885

“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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