SCHEMBL3182764

SCHEMBL3182764

CC(=N)c1cc(Br)c(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
DGAT1 O75907 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL6851403 0.83 KDM1A (0.33) KDM1AKDM1B
SCHEMBL246839 0.78 CES2 (0.39) DGAT1CES2CES1
SCHEMBL23205445 0.72 DGAT1 (0.55) KDM1AKDM1BDGAT1CES2CES1
SCHEMBL12273203 0.72 DGAT1 (0.41) DGAT1CES2CES1
SCHEMBL29705176 0.71 AKR1C4 (0.47) DGAT1CES2CES1
SCHEMBL366568 0.71 AKR1C4 (0.47) DGAT1CES2CES1
SCHEMBL31537517 0.70 DGAT1 (0.57) KDM1AKDM1BDGAT1CES2CES1
SCHEMBL30204393 0.70 GPR27 (0.41) KDM1AKDM1BDGAT1CES2CES1
SCHEMBL15919054 0.70 KDM1A (0.37) KDM1AKDM1BDGAT1CES2CES1
SCHEMBL12634676 0.70 DGAT1 (0.38) KDM1AKDM1BDGAT1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
US-8877744-B2 1,4-Oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
US-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 US disclosed
US-8748418-B2 1,4-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-10 US 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-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-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
US-20120253035-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-04 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
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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 (6 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 KDM1A 1524/4885KDM1B 753/4885DGAT1 3131/4885
US-20120253035-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 KDM1A 1462/4885KDM1B 836/4885DGAT1 1985/4885
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 KDM1A 1524/4885KDM1B 753/4885DGAT1 3131/4885
US-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP KDM1A 1122/4885KDM1B 1197/4885DGAT1 2221/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 KDM1A 1943/4885KDM1B 1938/4885DGAT1 2030/4885
US-20120238548-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 KDM1A 1414/4885KDM1B 858/4885DGAT1 1870/4885

“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.