SCHEMBL5371448

SCHEMBL5371448

CN(C)C(=[O+]n1ccccc1=O)N(C)C.F[B-](F)(F)F.On1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGAM O43451 4/20 0.33
AMY1A P0DUB6 4/20 0.33
GAA P10253 4/20 0.33
SI P14410 4/20 0.33
MGAM2 Q2M2H8 4/20 0.33
DGAT1 O75907 1/20 0.33
SLC9A1 P19634 3/20 0.32
KEAP1 Q14145 1/20 0.32
F12 P00748 1/20 0.31
MIF P14174 1/20 0.31
KCNMA1 Q12791 1/20 0.31

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
SCHEMBL5871 0.83 MEN1 (0.30) KMT2A
SCHEMBL1395480 0.81 POLB (0.54) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL5379722 0.79 MAPK1 (0.46) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL3181930 0.78 ALDH1A1 (0.32) ALDH1A1MAPTHTT
SCHEMBL5371444 0.74 POLB (0.43) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL2824611 0.74 SLC9A1 (0.41) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL44479 0.74 SLC9A1 (0.41) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL1941412 0.74 SLC9A1 (0.41) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL5332213 0.73 SLC9A1 (0.40) POLBMAPK1ATMKMT2AALDH1A1
SCHEMBL28752327 0.71 POLB (0.70) POLBMAPK1ATMKMT2AALDH1A1

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 12 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 claimed
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 claimed
US-20070093663-A1 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof. LES LABORATOIRES SERVIER (FR) 2007-04-26 US claimed
WO-2005066198-A1 METHOD FOR THE SYNTHESIS OF PERINDOPRIL AND THE PHARMACEUTICALLY-ACCEPTABLE SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2005-07-21 WO claimed
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 claimed
EP-1420029-A2 Method for synthesis of perindopril and its pharmaceutically acceptable salts LES LABORATOIRES SERVIER (FR) 2004-05-19 EP claimed
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-7279583-B2 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof LES LABORATOIRES SERVIER (FR) 2007-10-09 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-20070093663-A1 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof. LES LABORATOIRES SERVIER (FR) 2007-04-26 US 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-1420029-A2 Method for synthesis of perindopril and its pharmaceutically acceptable salts LES LABORATOIRES SERVIER (FR) 2004-05-19 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-20070093663-A1 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof. QDPR, REN, ACE POLB 2909/4885MAPK1 1744/4885ATM 4395/4885
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 POLB 3241/4885MAPK1 753/4885ATM 3947/4885

“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.