SCHEMBL362254

SCHEMBL362254

COc1ccc(C(=O)Nc2cccc(C3(C)COC(C)(C(F)(F)F)C(N)=N3)c2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
APP P05067 5/20 0.79
CTSD P07339 1/20 0.79
BACE2 Q9Y5Z0 4/20 0.58
CYP2D6 P10635 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 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
SCHEMBL363616 1.00 BACE1 (1.00) BACE1APPCTSDBACE2CYP2D6
SCHEMBL361507 0.88 BACE1 (1.00) BACE1APPCTSDBACE2CYP2D6
SCHEMBL360791 0.88 BACE1 (1.00) BACE1APPCTSDBACE2CYP2D6
SCHEMBL16390577 0.88 BACE1 (0.78) BACE1APPCTSDBACE2CYP2D6
Hydrochloric Acid SCHEMBL361960 0.87 BACE1 (0.98) BACE1APPCTSDBACE2CYP2D6
SCHEMBL10270334 0.86 BACE1 (1.00) BACE1APPBACE2CYP2D6CYP3A4
SCHEMBL15611434 0.86 BACE1 (1.00) BACE1APPBACE2CYP2D6CYP3A4
SCHEMBL16405068 0.82 BACE1 (0.70) BACE1APPCTSD
SCHEMBL362026 0.81 BACE1 (1.00) BACE1APP
SCHEMBL361326 0.81 BACE1 (1.00) BACE1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 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 (1 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-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885APP 94/4885CTSD 3279/4885

“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.