SCHEMBL22912571

SCHEMBL22912571

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC[C@H]1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.54
▸ AGTR2 P50052 5/20 0.51
▸ AGTR1 P30556 2/20 0.51
▸ MC4R P32245 1/20 0.50
▸ EPHA2 P29317 2/20 0.49
▸ APLNR P35414 1/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ F2 P00734 4/20 0.45
▸ REN P00797 2/20 0.44

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
SCHEMBL22197757 0.96 C5AR1 (0.51) C5AR1AGTR2AGTR1MC4REPHA2
SCHEMBL22912577 0.95 AGTR2 (0.53) C5AR1AGTR2AGTR1MC4REPHA2
SCHEMBL22197758 0.91 C5AR1 (0.50) C5AR1AGTR2AGTR1MC4RAPLNR
Talfirastide SCHEMBL15926158 0.90 AGTR1 (0.59) C5AR1AGTR2AGTR1MC4REPHA2
SCHEMBL18970524 0.89 C5AR1 (0.55) C5AR1AGTR2AGTR1MC4REPHA2
[Val5] - Angiotensin Ii SCHEMBL29551599 0.89 AGTR2 (0.64) C5AR1AGTR2AGTR1EPHA2APLNR
SCHEMBL29701258 0.87 AGTR2 (0.55) C5AR1AGTR2AGTR1MC4REPHA2
SCHEMBL7052378 0.87 AGTR2 (0.65) C5AR1AGTR2AGTR1EPHA2APLNR
SCHEMBL29972916 0.86 AGTR1 (0.62) C5AR1AGTR2AGTR1EPHA2F2
SCHEMBL9510693 0.86 AGTR1 (0.60) C5AR1AGTR2AGTR1MC4REPHA2

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 C5AR1 306/4885AGTR2 6/4885AGTR1 4/4885

“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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