SCHEMBL5379722

SCHEMBL5379722

CN(C)C(=[O+]n1nnc2ccccc2c1=O)N(C)C.F[B-](F)(F)F.On1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GPR139 Q6DWJ6 3/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL528859 0.91 ALDH1A1 (0.43) MAPK1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1395480 0.87 POLB (0.54) MAPK1POLBATMALDH1A1CYP1A2
SCHEMBL3127644 0.86 ALDH1A1 (0.48) MAPK1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1941412 0.81 SLC9A1 (0.41) MAPK1POLBATMALDH1A1CYP1A2
SCHEMBL2824611 0.81 SLC9A1 (0.41) MAPK1POLBATMALDH1A1CYP1A2
SCHEMBL44479 0.81 SLC9A1 (0.41) MAPK1POLBATMALDH1A1CYP1A2
SCHEMBL5378101 0.80 GAA (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL5332213 0.80 SLC9A1 (0.40) MAPK1POLBATMALDH1A1CYP1A2
SCHEMBL5371448 0.79 POLB (0.47) MAPK1POLBATMALDH1A1KMT2A
SCHEMBL78773 0.75 SLC9A1 (0.46) MAPK1POLBATMALDH1A1CYP1A2

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.