SCHEMBL3386972

SCHEMBL3386972

O=C(NN1CCCC1)c1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.66
PSEN2 P49810 19/20 0.66
APH1B Q8WW43 19/20 0.66
NCSTN Q92542 19/20 0.66
APH1A Q96BI3 19/20 0.66
PSENEN Q9NZ42 19/20 0.66
RORC P51449 1/20 0.42

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
SCHEMBL3388825 1.00 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3389040 0.88 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3389034 0.88 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3386800 0.86 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3386805 0.86 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3391649 0.82 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3391644 0.81 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5562504 0.81 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5619969 0.81 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3388381 0.80 PSEN1 (0.75) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915345-B1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP claimed
US-7501406-B2 Fluoro substituted 2-oxo-azepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US claimed
EP-1915345-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP claimed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US claimed
EP-1915345-B1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7501406-B2 Fluoro substituted 2-oxo-azepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
EP-1915345-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP disclosed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system BACE1, BACE2, BRCA1 PSEN1 6/4885PSEN2 14/4885APH1B 7/4885

“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.