SCHEMBL14855867

SCHEMBL14855867

C[C@@]1(c2cccc(Br)c2)COCC(N)=N1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.63
KCNH2 Q12809 1/20 0.62
BACE2 Q9Y5Z0 2/20 0.59
APP P05067 1/20 0.58

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
SCHEMBL1172999 1.00 BACE1 (0.63) BACE1KCNH2BACE2APP
SCHEMBL362425 1.00 BACE1 (0.63) BACE1KCNH2BACE2APP
SCHEMBL11993563 0.91 BACE1 (0.53) BACE1KCNH2BACE2APP
Trifluoroacetic Acid SCHEMBL14889615 0.88 BACE1 (0.59) BACE1KCNH2APP
SCHEMBL370974 0.85 BACE1 (0.66) BACE1KCNH2BACE2APP
SCHEMBL8218866 0.85 BACE1 (0.66) BACE1KCNH2BACE2APP
SCHEMBL8220738 0.85 BACE1 (0.66) BACE1KCNH2BACE2APP
Hydrochloric Acid SCHEMBL12272746 0.84 BACE1 (0.64) BACE1KCNH2BACE2APP
Hydrochloric Acid SCHEMBL12273207 0.84 BACE1 (0.64) BACE1KCNH2BACE2APP
SCHEMBL11307683 0.84 BACE1 (0.47) BACE1KCNH2BACE2APP

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
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
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
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

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 BACE1 2/4885KCNH2 3985/4885BACE2 1/4885
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885KCNH2 3985/4885BACE2 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.