SCHEMBL360548

SCHEMBL360548

Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 15/20 1.00
APP P05067 11/20 1.00
CYP2D6 P10635 4/20 0.87
CYP3A4 P08684 2/20 0.87
CTSD P07339 1/20 0.87

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
SCHEMBL14325981 1.00 BACE1 (1.00) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL29430233 1.00 BACE1 (1.00) BACE1BACE2APPCYP2D6CYP3A4
Hydrochloric Acid SCHEMBL361133 0.99 BACE1 (0.98) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL10469283 0.93 BACE1 (1.00) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL15345214 0.92 BACE1 (1.00) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL1910311 0.90 BACE1 (0.82) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL15345216 0.90 BACE1 (0.82) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL15345231 0.90 BACE1 (0.87) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL10382830 0.89 BACE1 (1.00) BACE1BACE2APPCYP2D6CYP3A4
SCHEMBL10382790 0.89 BACE1 (1.00) BACE1BACE2APPCYP2D6CYP3A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 WO claimed
US-20200345746-A1 Oxazine Derivative for Use in the Prevention of Alzheimer's Disease in at Risk Patents NOVARTIS AG (CH) 2020-11-05 US disclosed
US-20180036315-A1 Oxazine Derivative for Use in the Prevention of Alzheimer's Disease in at Risk Patients NOVARTIS AG (CH) 2018-02-08 US disclosed
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-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 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-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
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-09-20 US disclosed
WO-2012095451-A1 CRYSTALLINE OXAZINE DERIVATIVE AND ITS USE AS BACE INHIBITOR NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20120178745-A1 Novel Crystalline Oxazine Derivative NOVARTIS PHARMA AG (CH) 2012-07-12 US 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
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG 2011-01-27 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 (10 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 2/4885BACE2 1/4885APP 5/4885
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885
US-20120178745-A1 Novel Crystalline Oxazine Derivative CYP3A5, CHRM5, CYP2C8 BACE1 1737/4885BACE2 1918/4885APP 2048/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885
US-20180036315-A1 Oxazine Derivative for Use in the Prevention of Alzheimer's Disease in at Risk Patients BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885APP 4/4885
US-20200345746-A1 Oxazine Derivative for Use in the Prevention of Alzheimer's Disease in at Risk Patents BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885APP 4/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C BACE1 69/4885BACE2 161/4885APP 94/4885

“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.