SCHEMBL5378097

SCHEMBL5378097

CN(C)C(On1nnc2ccccc2c1=O)=[N+](C)C.CN1CCOCC1.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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 0.89 ALDH1A1 (0.43) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL528860 0.89 ALDH1A1 (0.43) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL6738317 0.86 CYP2D6 (0.37) ALDH1A1SMN1; SMN2RXFP1TSHRMAPT
SCHEMBL3127639 0.85 ALDH1A1 (0.47) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL22262037 0.83 ALDH1A1 (0.43) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL29357885 0.83 ALDH1A1 (0.43) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL5379720 0.82 MAPK1 (0.42) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL2421131 0.81 ALDH1A1 (0.41) HPSEMEN1KMT2AGAAALDH1A1
SCHEMBL28106864 0.81 CYP2D6 (0.37) ALDH1A1SMN1; SMN2RXFP1TSHRMAPT
SCHEMBL5378101 0.77 GAA (0.38) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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 5 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-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-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 (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-20070093663-A1 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof. QDPR, REN, ACE HPSE 1783/4885MEN1 4338/4885KMT2A 3132/4885

“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.