SCHEMBL12472002

SCHEMBL12472002

CC(C)(C)COc1cc(F)c2c(c1)[C@@]1(COCCC(N)=N1)c1cc(-c3cccnc3F)ccc1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
KCNH2 Q12809 4/20 0.60
CTSD P07339 1/20 0.52

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
SCHEMBL12471133 1.00 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL12471545 1.00 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL15418740 0.87 BACE1 (0.81) BACE1KCNH2CTSD
SCHEMBL2371838 0.87 BACE1 (0.81) BACE1KCNH2CTSD
SCHEMBL2521153 0.87 BACE1 (0.81) BACE1KCNH2CTSD
SCHEMBL12471232 0.84 BACE1 (0.73) BACE1KCNH2CTSD
SCHEMBL2516634 0.84 BACE1 (0.79) BACE1KCNH2CTSD
SCHEMBL15510062 0.82 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL2521048 0.82 BACE1 (0.69) BACE1KCNH2CTSD
SCHEMBL2521049 0.82 BACE1 (0.69) BACE1KCNH2CTSD

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
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US claimed
US-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use AMGEN INC. (US) 2014-01-30 US claimed
EP-2673279-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE Amgen Inc. (US) 2013-12-18 EP claimed
WO-2012109165-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2012-08-16 WO claimed
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use AMGEN INC. (US) 2014-01-30 US disclosed
EP-2673279-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE Amgen Inc. (US) 2013-12-18 EP disclosed
WO-2012109165-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2012-08-16 WO disclosed
WO-2012109165-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2012-08-16 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 (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-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use BACE1, BACE2, APP BACE1 1/4885KCNH2 1895/4885CTSD 976/4885

“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.