SCHEMBL10470982

SCHEMBL10470982

Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)COC(CF)(CF)C(N)=N2)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.78
APP P05067 3/20 0.78
CYP2D6 P10635 3/20 0.78
BACE2 Q9Y5Z0 3/20 0.78
CTSD P07339 7/20 0.73
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66

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
SCHEMBL10471338 1.00 BACE1 (0.78) BACE1APPCYP2D6BACE2CTSD
SCHEMBL11432758 0.88 BACE1 (0.76) BACE1APPCYP2D6BACE2CTSD
SCHEMBL15342789 0.88 BACE1 (0.81) BACE1APPCYP2D6BACE2CTSD
SCHEMBL15345226 0.88 BACE1 (1.00) BACE1APPCYP2D6BACE2CTSD
SCHEMBL10470848 0.85 BACE1 (1.00) BACE1APPCYP2D6BACE2CTSD
SCHEMBL10473273 0.85 BACE1 (1.00) BACE1APPCYP2D6BACE2CTSD
SCHEMBL16461770 0.84 BACE1 (1.00) BACE1APPCYP2D6BACE2CTSD
SCHEMBL16461287 0.83 BACE1 (0.88) BACE1APPCYP2D6BACE2CTSD
SCHEMBL15345200 0.83 BACE1 (0.68) BACE1APPCYP2D6BACE2CTSD
SCHEMBL16461771 0.82 BACE1 (0.87) BACE1APPCYP2D6BACE2CTSD

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
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2013-10-24 US disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 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-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders GRIK5, OTC, GRIN2C BACE1 74/4885APP 148/4885CYP2D6 122/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP BACE1 2/4885APP 5/4885CYP2D6 2438/4885

“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.