SCHEMBL361386

SCHEMBL361386

O=C1COC[C@](c2cc(Br)ccc2F)(C(F)F)N1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.38
BACE2 Q9Y5Z0 3/20 0.38
CTSD P07339 1/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL361387 1.00 BACE1 (0.38) BACE1BACE2CTSDCMA1AHR
SCHEMBL361120 0.88 BACE1 (0.38) BACE1BACE2CTSDCMA1AHR
SCHEMBL361433 0.85 BACE1 (0.35) BACE1BACE2CTSD
SCHEMBL360630 0.81 PGR (0.34) BACE1AKR1A1AKR1B1
SCHEMBL360631 0.81 PGR (0.34) BACE1AKR1A1AKR1B1
SCHEMBL1173458 0.80 BACE1 (0.40) BACE1BACE2CTSDCMA1AHR
SCHEMBL1173454 0.80 BACE1 (0.40) BACE1BACE2CTSDCMA1AHR
SCHEMBL1173442 0.79 BACE1 (0.39) BACE1BACE2CTSDCMA1AHR
SCHEMBL1173165 0.79 BACE1 (0.39) BACE1BACE2CTSDCMA1AHR
SCHEMBL1173162 0.79 BACE1 (0.39) BACE1BACE2CTSDCMA1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483255-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2013-10-16 EP disclosed
US-8338413-B1 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-12-25 US disclosed
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-11-29 US disclosed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP disclosed
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-07-05 US disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 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-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885CTSD 3279/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885CTSD 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.