SCHEMBL8515859

SCHEMBL8515859

CC(C)(C)OC(=O)NC1=N[C@](C)(c2cccc(Br)c2)CO[C@@]1(C)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.49
APP P05067 5/20 0.49
CTSD P07339 1/20 0.49
BACE2 Q9Y5Z0 5/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
USP30 Q70CQ3 1/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL8515858 1.00 BACE1 (0.49) BACE1APPCTSDBACE2CYP3A4
SCHEMBL9947649 0.89 BACE1 (0.48) BACE1APPCTSDBACE2CYP3A4
SCHEMBL9947651 0.89 BACE1 (0.48) BACE1APPCTSDBACE2CYP3A4
SCHEMBL15611760 0.85 BACE1 (0.73) BACE1APPCTSDBACE2CYP3A4
SCHEMBL15611758 0.85 BACE1 (0.73) BACE1APPCTSDBACE2CYP3A4
SCHEMBL20286099 0.84 BACE1 (0.52) BACE1APPCTSDBACE2CYP3A4
SCHEMBL10323162 0.83 BACE1 (0.44) BACE1APPCTSDBACE2CYP3A4
SCHEMBL10323211 0.79 BACE1 (0.48) BACE1APPCTSDBACE2
SCHEMBL30671797 0.78 BACE1 (0.45) BACE1APPCTSDBACE2CYP3A4
SCHEMBL14861590 0.78 BACE1 (0.45) BACE1APPCTSDBACE2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US disclosed
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 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
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-09-20 US disclosed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-07-05 US disclosed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP 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 (7 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP BACE1 2/4885APP 5/4885CTSD 77/4885
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885APP 94/4885CTSD 3279/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C BACE1 69/4885APP 94/4885CTSD 3279/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885APP 94/4885CTSD 3279/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885APP 94/4885CTSD 3279/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885APP 94/4885CTSD 3279/4885
US-20120238560-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.