SCHEMBL362967

SCHEMBL362967

OCC(F)(F)C(O)c1cc(Br)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
PDK2 Q15119 1/20 0.31
PDE2A O00408 1/20 0.31
CASP1 P29466 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
USP28 Q96RU2 1/20 0.30
USP25 Q9UHP3 1/20 0.30

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
SCHEMBL13859224 0.85 PDE2A (0.36) DGAT1PDE2AADRA2AADRA2BADRA2C
SCHEMBL24633625 0.82 DGAT1 (0.35) DGAT1PDK2PDE2AADRA2AADRA2B
SCHEMBL2961939 0.82 DGAT1 (0.35) DGAT1PDK2PDE2AADRA2AADRA2B
SCHEMBL360836 0.75 APLNR (0.40)
SCHEMBL9952560 0.75 FPR2 (0.34) DGAT1PTPN7DUSP3
SCHEMBL3192828 0.72 ADRA2C (0.39) DGAT1ADRA2AADRA2BADRA2C
SCHEMBL362742 0.71 ALOX5 (0.38)
SCHEMBL1145058 0.71 GABRA1 (0.39) DGAT1PDE2AADRA2AADRA2BADRA2C
SCHEMBL21096068 0.70 PSEN1 (0.35) DGAT1ADRA2AADRA2BADRA2C
SCHEMBL182595 0.70 PDE2A (0.47) DGAT1PDE2AADRA2AADRA2BADRA2C

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 18 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
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 (8 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 DGAT1 718/4885PDK2 241/4885PDE2A 3683/4885
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C DGAT1 3947/4885PDK2 849/4885PDE2A 861/4885

“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.