SCHEMBL5377148

SCHEMBL5377148

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.60
MME P08473 1/20 0.60

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
SCHEMBL16464700 0.90 XIAP (0.56) ACEMME
SCHEMBL16465568 0.90 XIAP (0.56) ACEMME
SCHEMBL9409870 0.90 XIAP (0.56) ACEMME
SCHEMBL9409863 0.90 XIAP (0.56) ACEMME
SCHEMBL5837686 0.90 ACE (0.49) ACEMME
SCHEMBL5917460 0.90 ACE (0.49) ACEMME
SCHEMBL5568411 0.87 ACE (0.55) ACEMME
SCHEMBL9543558 0.86 ACE (0.52) ACEMME
SCHEMBL9543550 0.86 ACE (0.52) ACEMME
SCHEMBL13895644 0.85 ACE (0.53) ACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288661-B2 Process for the synthesis of (2S,3aS,7aS)-1-[(S)-alanyl]-octahydro-1H-indole-2-carboxylic acid compounds and application in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2007-10-30 US disclosed
US-20070123581-A1 Process for the synthesis of (2s, 3as, 7as)-1-[(s)-alanyl]-octahydro-1h-indole-2-carboxylic acid compounds and application in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2007-05-31 US disclosed
US-7223872-B2 Process for the synthesis of perindopril and its pharmaceutically acceptable salts LES LABORATOIRES SERVIER (FR) 2007-05-29 US disclosed
US-20070088168-A1 PROCESS FOR THE SYNTHESIS OF PERINDOPRIL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS LES LABORATOIRES SERVIER (FR) 2007-04-19 US disclosed
EP-1256590-B1 Method for synthesis of (2S,3aS,7aS)-1-(S)-alanyl-octahydro-1H-indole-2- carboxylic acid derivatives and use in the synthesis of perindopril SERVIER LAB (FR) 2006-03-01 EP disclosed
EP-1319668-B1 Method for synthesis of (2S,3aS,7aS)-1-((S)-alanyl)-octahydro-1H-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril SERVIER LAB (FR) 2004-10-27 EP disclosed
WO-2004082357-A2 NOVEL METHOD FOR THE SYNTHESIS OF DERIVATIVES OF (2S, 3AS, 7AS)-1-[(S)-ALANYL]-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID AND APPLICATION THEREOF TO THE SYNTHESIS OF PERINDOPRIL LES LABORATOIRES SERVIER (FR) 2004-09-30 WO disclosed
EP-1420030-A2 Method for synthesis of (2S,3aS,7aS)-1-[(S)-alanyl]-octahydro-1H-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril Les Laboratoires Servier (FR) 2004-05-19 EP disclosed
EP-1403277-A1 Method for synthesis of (2S,3aS,7aS)-1-((S)-alanyl)-octahydro-1H-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2004-03-31 EP disclosed
EP-1380590-A1 Method for synthesis of perindopril and its pharmaceutically acceptable salts Les Laboratoires Servier (FR) 2004-01-14 EP disclosed
EP-1380591-A1 Method for synthesis of perindopril and its pharmaceutically acceptable salts Les Laboratoires Servier (FR) 2004-01-14 EP disclosed
EP-1371659-A1 Method for synthesis of perindopril and its pharmaceutically acceptable salts [2003/26] Les Laboratoires Servier (FR) 2003-12-17 EP disclosed
EP-1319668-A1 Method for synthesis of (2S,3aS,7aS)-1-((S)-alanyl)-octahydro-1H-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril Les Laboratoires Servier (FR) 2003-06-18 EP disclosed
EP-1256590-A1 Method for synthesis of (2S,3aS,7aS)-1-(S)-alanyl-octahydro-1H-indole-2- carboxylic acid derivatives and use in the synthesis of perindopril Les Laboratoires Servier S.A. (FR) 2002-11-13 EP 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 (2 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-20070088168-A1 PROCESS FOR THE SYNTHESIS OF PERINDOPRIL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS ACE, REN, QDPR ACE 1/4885MME 290/4885
US-20070123581-A1 Process for the synthesis of (2s, 3as, 7as)-1-[(s)-alanyl]-octahydro-1h-indole-2-carboxylic acid compounds and application in the synthesis of perindopril CYP2S1, TPH1, AGTR1 ACE 10/4885MME 996/4885

“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.