SCHEMBL2588909

SCHEMBL2588909

O=C(Cl)Cc1cc(Br)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PDPK1 O15530 1/20 0.35

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
SCHEMBL12473692 0.85 DGAT1 (0.50) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL29574602 0.85 DGAT1 (0.46) DGAT1KMT2ALMNANPC1RAB9A
SCHEMBL8696600 0.85 DGAT1 (0.46) DGAT1KMT2ALMNANPC1RAB9A
SCHEMBL135166 0.83 PTGDR2 (0.44) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL16461185 0.83 DGAT1 (0.43) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL29604497 0.82 PDPK1 (0.43) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL28743936 0.82 PDPK1 (0.43) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL1049703 0.81 BRD4 (0.44) DGAT1BRD4BRD2BRD3BRDT
SCHEMBL28462205 0.81 HSP90AA1 (0.39) DGAT1KMT2ARAB9AALDH1A1MAPT
SCHEMBL892996 0.81 MAPK8 (0.46) SMN1; SMN2MAPTDPP4

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 14 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
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-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-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-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-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
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP 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
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
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
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 WO disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 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-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 DGAT1 3131/4885BRD4 200/4885BRD2 260/4885
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 DGAT1 3131/4885BRD4 200/4885BRD2 260/4885

“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.