SCHEMBL362007

SCHEMBL362007

CC1(c2cc(Br)cc(NC(=O)c3ccc(Br)cn3)c2)COCC(N)=N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
APP P05067 2/20 0.81
BACE2 Q9Y5Z0 2/20 0.64

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
SCHEMBL362999 1.00 BACE1 (1.00) BACE1APPBACE2
SCHEMBL361362 0.92 BACE1 (1.00) BACE1APP
SCHEMBL360474 0.92 BACE1 (1.00) BACE1APP
Hydrochloric Acid SCHEMBL16105157 0.92 BACE1 (0.98) BACE1APP
SCHEMBL362141 0.90 BACE1 (1.00) BACE1APP
SCHEMBL360955 0.90 BACE1 (1.00) BACE1APP
SCHEMBL369802 0.89 BACE1 (1.00) BACE1APP
SCHEMBL361455 0.89 BACE1 (1.00) BACE1APP
SCHEMBL370707 0.89 BACE1 (1.00) BACE1APP
SCHEMBL360478 0.89 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 2 patents. 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
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 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 (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 94/4885BACE2 161/4885

“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.