SCHEMBL17119209

SCHEMBL17119209

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=N[C@@]2(c3cc(NC(=O)c4ccc(C#N)cn4)ccc3F)CCO[C@H]2CO1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
BACE2 Q9Y5Z0 10/20 0.53
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
CYP2D6 P10635 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL17119157 0.83 BACE1 (0.68) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17119158 0.83 BACE1 (0.68) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17119274 0.78 BACE1 (0.37) BACE1BACE2
SCHEMBL18379325 0.77 BACE1 (0.60) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL15704817 0.77 BACE1 (0.51) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL18636845 0.77 BACE1 (0.58) BACE1BACE2
SCHEMBL18379284 0.77 BACE1 (0.71) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17119079 0.77 BACE1 (0.60) BACE1BACE2
SCHEMBL18636689 0.76 BACE1 (0.66) BACE1BACE2CYP2D6KCNH2
SCHEMBL17119145 0.76 BACE1 (0.60) BACE1BACE2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758513-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2017-01-12 US disclosed
US-9540359-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-01-10 US disclosed
US-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-09-24 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 (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-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885PSEN1 4/4885
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885PSEN1 4/4885

“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.