SCHEMBL7889489

SCHEMBL7889489

COC1CCC2(CCc3ccc(-c4cccc(C#N)c4)cc3C2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.58
APP P05067 3/20 0.48

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
SCHEMBL1465915 0.90 BACE1 (0.69) BACE1APP
SCHEMBL7881663 0.85 BACE1 (0.54) BACE1
SCHEMBL7889396 0.85 BACE1 (0.49) BACE1APP
SCHEMBL12745845 0.81 BACE1 (0.51) BACE1
SCHEMBL17355108 0.80 BACE1 (0.54) BACE1APP
SCHEMBL1464816 0.79 BACE1 (0.66) BACE1APP
SCHEMBL1464817 0.79 BACE1 (0.66) BACE1APP
SCHEMBL1465209 0.78 BACE1 (0.57) BACE1
SCHEMBL7890218 0.78 BACE1 (0.57) BACE1
SCHEMBL31036 0.78 BACE1 (0.57) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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-20140200223-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885APP 4/4885
US-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 BACE1 1/4885APP 4/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885APP 4/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885APP 4/4885

“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.