SCHEMBL15466967

SCHEMBL15466967

O=C1NC2(c3cc(Br)ccc3F)CC2CO1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.34
CTSD P07339 2/20 0.34
BACE2 Q9Y5Z0 6/20 0.34
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
CMA1 P23946 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL15466968 1.00 BACE1 (0.34) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL7704435 1.00 BACE1 (0.34) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL17794135 0.84 BACE1 (0.33) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL17794269 0.83 BACE1 (0.43) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL1172914 0.83 BACE1 (0.39) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL1172916 0.83 BACE1 (0.39) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL15467521 0.82 BACE1 (0.35) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL7707967 0.82 BACE1 (0.35) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL15467520 0.82 BACE1 (0.35) BACE1CTSDBACE2AKR1A1AKR1B1
SCHEMBL17794122 0.81 BACE1 (0.35) BACE1CTSDBACE2KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566855-B1 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 (CH) 2014-05-21 EP 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-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 (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-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 BACE1 2/4885CTSD 1256/4885BACE2 1/4885
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 BACE1 2/4885CTSD 1256/4885BACE2 1/4885

“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.