SCHEMBL12450813

SCHEMBL12450813

[C-]#[N+]COC[C@H](F)[C@](C)(N)c1ccccc1F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL2592768 0.78 CTSS (0.31) —
SCHEMBL2592772 0.78 CTSS (0.31) —
SCHEMBL17254207 0.74 HDAC3 (0.37) —
SCHEMBL12273931 0.74 HDAC3 (0.37) —
SCHEMBL12980340 0.74 HDAC3 (0.37) —
SCHEMBL15705128 0.72 KCNN4 (0.35) —
SCHEMBL12450833 0.71 — —
SCHEMBL17118614 0.68 KCNN4 (0.33) —
SCHEMBL17749269 0.68 KCNN4 (0.41) —
SCHEMBL18623889 0.67 ALDH1A1 (0.31) —

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-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2014-10-30 — — US disclosed
US-8815841-B2 1,4-Oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-26 — — US disclosed
US-8748418-B2 1,4-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-10 — — US disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US disclosed
US-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-02-13 — — US disclosed
US-20130040936-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. 2013-02-14 — — US disclosed
US-20120238548-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 — — 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 (5 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-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds BACE2, BACE1, PSEN2 CYP3A4 310/4885
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN2 CYP3A4 282/4885
US-20130040936-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN2 CYP3A4 231/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 CYP3A4 310/4885
US-20120238548-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 CYP3A4 666/4885

“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.

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