SCHEMBL361303

SCHEMBL361303

C=C(C)c1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ CES2 O00748 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CES1 P23141 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL24664580 0.83 DGAT1 (0.55) DGAT1HPGDALDH1A1KMT2ANPC1
SCHEMBL16960361 0.83 DGAT1 (0.44) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL10082 0.79 DGAT1 (0.50) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL30374539 0.79 DGAT1 (0.50) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL12273203 0.79 DGAT1 (0.41) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL16952184 0.79 DGAT1 (0.38) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL20271806 0.79 DGAT1 (0.38) DGAT1CES2HPGDGALR3CYP1A2
SCHEMBL11042341 0.78 CES2 (0.56) CES2HPGDALDH1A1KMT2ANPC1
SCHEMBL20835362 0.78 POLB (0.40) CES2HPGDGALR3CYP1A2CYP2C9
SCHEMBL16958285 0.78 DGAT1 (0.44) DGAT1CES2HPGDGALR3CYP1A2

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 56 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
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
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
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-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-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 — — US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 — — US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 — — US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 — — WO disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 — — 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 (5 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-10399995-B2 1,4-Oxazines useful as selective BACE1 inhibitors BACE1, BACE2, PSEN1 DGAT1 2151/4885CES2 1493/4885HPGD 3493/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885CES2 517/4885HPGD 224/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 DGAT1 3131/4885CES2 919/4885HPGD 2609/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DGAT1 3947/4885CES2 517/4885HPGD 224/4885
US-20190161502-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS BACE1, BACE2, PSEN1 DGAT1 2151/4885CES2 1493/4885HPGD 3493/4885

“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.

Send feedback