SCHEMBL3033354

SCHEMBL3033354

CN(C)[C@H]1CCCCNC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.47
PSEN2 P49810 19/20 0.47
APH1B Q8WW43 19/20 0.47
NCSTN Q92542 19/20 0.47
APH1A Q96BI3 19/20 0.47
PSENEN Q9NZ42 19/20 0.47
CCR2 P41597 1/20 0.41

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
SCHEMBL3033357 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Methyl Alcohol SCHEMBL28457179 0.96 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18878187 0.94 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18675295 0.85
SCHEMBL3738800 0.85
SCHEMBL29346027 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29346218 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11338976 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22838139 0.78 L3MBTL1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18884373 0.78 L3MBTL1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP disclosed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US disclosed
EP-2173747-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
WO-2009000412-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI AVENTIS (FR) 2008-12-31 WO 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-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH PSEN1 4472/4885PSEN2 4125/4885APH1B 2228/4885

“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.