SCHEMBL5379720

SCHEMBL5379720

CN(C)C(On1nnc2ccccc2c1=O)=[N+](C)C.F[B-](F)(F)F.On1nnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
HPSE Q9Y251 1/20 0.38
SIRT2 Q8IXJ6 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34

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
SCHEMBL29354503 0.92 ALDH1A1 (0.43) MAPK1HPSEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL528860 0.92 ALDH1A1 (0.43) MAPK1HPSEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1395479 0.88 POLB (0.49) MAPK1POLBATMSIRT2ALDH1A1
SCHEMBL3127639 0.87 ALDH1A1 (0.47) MAPK1HPSEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22262037 0.85 ALDH1A1 (0.43) MAPK1HPSEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29357885 0.85 ALDH1A1 (0.43) MAPK1HPSEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2421131 0.83 ALDH1A1 (0.41) MAPK1HPSEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16765694 0.83 SIRT2 (0.45) MAPK1POLBATMSIRT2ALDH1A1
SCHEMBL29361802 0.83 SIRT2 (0.45) MAPK1POLBATMSIRT2ALDH1A1
SCHEMBL44480 0.83 SIRT2 (0.45) MAPK1POLBATMSIRT2ALDH1A1

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 7 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
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

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 MAPK1 1744/4885POLB 2909/4885ATM 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 MAPK1 753/4885POLB 3241/4885ATM 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.