SCHEMBL3456304

SCHEMBL3456304

NC1=NC(c2ccccc2)(c2ccccc2)C2=NCCCN12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 12/20 1.00
APP P05067 1/20 1.00
CTSD P07339 12/20 0.74
REN P00797 1/20 0.49

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
SCHEMBL8225647 0.93 BACE1 (0.86) BACE1BACE2APPCTSDREN
SCHEMBL3457212 0.88 BACE1 (0.81) BACE1BACE2APPCTSDREN
SCHEMBL8225796 0.88 BACE1 (0.78) BACE1BACE2APPCTSD
SCHEMBL4883164 0.88 BACE1 (0.78) BACE1BACE2APPCTSD
SCHEMBL3457576 0.86 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL3457675 0.85 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL3457106 0.85 BACE1 (1.00) BACE1BACE2APPCTSDREN
SCHEMBL8223357 0.84 BACE1 (0.71) BACE1BACE2APPCTSDREN
SCHEMBL8227182 0.84 BACE1 (0.72) BACE1BACE2APPCTSDREN
SCHEMBL8221934 0.83 BACE1 (0.80) BACE1BACE2APPCTSDREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264036-A1 Amino-imidazolones for the inhibition of beta-secretase Wyeth LLC (Formerly Known As Wyeth) (US) 2010-12-22 EP claimed
US-20090253716-A1 AMINO-IMIDAZOLONES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-10-08 US claimed
EP-1836208-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE Wyeth Incoporated (US) 2007-09-26 EP claimed
US-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase WYETH (US) 2006-07-20 US claimed
WO-2006076284-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE WYETH (US) 2006-07-20 WO claimed
EP-2264036-A1 Amino-imidazolones for the inhibition of beta-secretase Wyeth LLC (Formerly Known As Wyeth) (US) 2010-12-22 EP disclosed
US-20090253716-A1 AMINO-IMIDAZOLONES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-10-08 US disclosed
US-7563796-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2009-07-21 US disclosed
EP-1836208-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE Wyeth Incoporated (US) 2007-09-26 EP disclosed
US-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase WYETH (US) 2006-07-20 US disclosed
WO-2006076284-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE WYETH (US) 2006-07-20 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 (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-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885APP 3/4885
US-20090253716-A1 AMINO-IMIDAZOLONES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885APP 3/4885

“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.