SCHEMBL2594474

SCHEMBL2594474

CCOC(=O)c1nsc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.41
TARBP2 Q15633 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MPI P34949 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20320397 0.81 CYP1A2 (0.43) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL23295662 0.80 CYP1A2 (0.42) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL7915881 0.79 NPSR1 (0.41) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL7350279 0.79 ALDH1A1 (0.50) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL4122538 0.76 TRPM8 (0.59) KMT2AMAPTTARBP2TRPM8
SCHEMBL352579 0.74 CYP1A2 (0.54) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL4107509 0.73 ABL1 (0.47) MAPTCYP1A2TRPM8KDM4E
SCHEMBL25219857 0.71 CYP1A2 (0.41) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL11643375 0.71 TRPM8 (0.57) ALDH1A1MAPTNPC1RAB9ATARBP2
SCHEMBL11643989 0.71 TRPM8 (0.57) KMT2AALDH1A1MAPTMEN1TARBP2

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 6 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
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
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 KMT2A 1409/4885ALDH1A1 457/4885MAPT 256/4885
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 KMT2A 1409/4885ALDH1A1 457/4885MAPT 256/4885

“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.