SCHEMBL17119137

SCHEMBL17119137

C[C@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)O[C@H](CF)[C@@H]1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CYP2D6 P10635 6/20 0.79
BACE2 Q9Y5Z0 6/20 0.79
CYP2C9 P11712 1/20 0.70
KCNH2 Q12809 1/20 0.70
CTSD P07339 1/20 0.62

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
SCHEMBL17119139 1.00 BACE1 (1.00) BACE1CYP2D6BACE2CYP2C9KCNH2
SCHEMBL17119169 0.93 BACE1 (1.00) BACE1CYP2D6BACE2CTSD
SCHEMBL17119187 0.93 BACE1 (0.87) BACE1CYP2D6BACE2CYP2C9KCNH2
SCHEMBL18636900 0.90 BACE1 (0.82) BACE1CYP2D6BACE2CYP2C9KCNH2
SCHEMBL17119276 0.90 BACE1 (0.82) BACE1CYP2D6BACE2CYP2C9KCNH2
SCHEMBL17169040 0.89 BACE1 (0.90) BACE1CYP2D6BACE2CYP2C9KCNH2
SCHEMBL17119166 0.88 BACE1 (0.87) BACE1CYP2D6BACE2
SCHEMBL17119327 0.88 BACE1 (1.00) BACE1CYP2D6BACE2
SCHEMBL18636679 0.88 BACE1 (1.00) BACE1CYP2D6BACE2CYP2C9KCNH2
SCHEMBL17169038 0.88 BACE1 (1.00) BACE1CYP2D6BACE2CYP2C9KCNH2

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 1/4885CYP2D6 1534/4885BACE2 3/4885
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885CYP2D6 1534/4885BACE2 3/4885

“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.