SCHEMBL360811

SCHEMBL360811

CC(O)(CO)c1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
PYCR1 P32322 1/20 0.33
APLNR P35414 3/20 0.33
AAK1 Q2M2I8 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL360810 1.00 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL15310123 0.87 DGAT1 (0.38) DGAT1PTGDR2PYCR1APLNRAAK1
SCHEMBL23062594 0.86 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL362523 0.84 DGAT1 (0.40) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL362524 0.84 DGAT1 (0.40) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL1173372 0.82 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL247850 0.82 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL1173257 0.82 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL360540 0.81 DGAT1 (0.41) DGAT1PTGDR2PTPN7DUSP3PYCR1
SCHEMBL30374570 0.81 DGAT1 (0.41) DGAT1PTGDR2PTPN7DUSP3PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399995-B2 1,4-Oxazines useful as selective BACE1 inhibitors ELI LILLY AND COMPANY (US) 2019-09-03 US disclosed
EP-3504211-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS Eli Lilly and Company (US) 2019-07-03 EP disclosed
US-20190161502-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS LILLY CO ELI (US) 2019-05-30 US disclosed
WO-2018039062-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-03-01 WO disclosed
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP 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-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
WO-2012095451-A1 CRYSTALLINE OXAZINE DERIVATIVE AND ITS USE AS BACE INHIBITOR NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS 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
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 718/4885PTGDR2 3479/4885PTPN7 2861/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C DGAT1 3947/4885PTGDR2 262/4885PTPN7 2721/4885
US-10399995-B2 1,4-Oxazines useful as selective BACE1 inhibitors BACE1, BACE2, PSEN1 DGAT1 2151/4885PTGDR2 4745/4885PTPN7 2834/4885
US-20120178745-A1 Novel Crystalline Oxazine Derivative CYP3A5, CHRM5, CYP2C8 DGAT1 4278/4885PTGDR2 2036/4885PTPN7 2574/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PTGDR2 262/4885PTPN7 2721/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PTGDR2 262/4885PTPN7 2721/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885PTGDR2 262/4885PTPN7 2721/4885
US-20190161502-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS BACE1, BACE2, PSEN1 DGAT1 2151/4885PTGDR2 4745/4885PTPN7 2834/4885

“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.