SCHEMBL14855971

SCHEMBL14855971

O=C1COCC(c2cccc(Cl)c2)(C(F)(F)F)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 6/20 0.37
HTT P42858 1/20 0.36
SLC6A3 Q01959 4/20 0.34
CHRNA1 P02708 3/20 0.34
CHRNG P07510 3/20 0.34
CHRNB1 P11230 3/20 0.34
CHRNB2 P17787 3/20 0.34
SLC6A2 P23975 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRND Q07001 3/20 0.34
SLC6A4 P31645 2/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
PGR P06401 3/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL360747 0.84 MGAT2 (0.47) MGAT2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL14856025 0.81 SLC6A3 (0.36) MGAT2HTTSLC6A3CHRNA1CHRNG
SCHEMBL16510367 0.75 BACE1 (0.35) MGAT2BACE1
SCHEMBL14855653 0.73 BACE1 (0.44) MGAT2BACE1
SCHEMBL22915142 0.63 TP53 (0.43) MAPTHCAR3HCAR2
SCHEMBL2179928 0.62 SLC6A4 (0.38) HTTSLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL361964 0.61 PGR (0.33) MGAT2PGRCRBN
SCHEMBL24738863 0.61 SLC6A3 (0.49) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL31098644 0.61 SLC6A3 (0.39) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL31098700 0.61 SLC6A3 (0.39) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2

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
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
EP-2580200-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-04-17 EP disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 MGAT2 452/4885HTT 684/4885SLC6A3 1473/4885
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 MGAT2 452/4885HTT 684/4885SLC6A3 1473/4885

“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.