SCHEMBL991128

SCHEMBL991128

C=C[C@H](OCC(=O)N(C)OC)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL991129 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL31203719 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL11026469 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL11913741 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL15731786 0.76 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL11298343 0.76 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL11025847 0.74 TSHR (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL11027378 0.74 TSHR (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL15835723 0.74 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL11302632 0.72 APLNR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
EP-2456771-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
EP-2456774-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 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 (2 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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SLC6A2 886/4885SLC6A4 1946/4885SLC6A3 852/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SLC6A2 886/4885SLC6A4 1946/4885SLC6A3 852/4885

“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.