SCHEMBL2632348

SCHEMBL2632348

N[C@@]1(c2ccccc2OC(F)(F)F)CCOC[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
EPHX2 P34913 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
AKT2 P31751 1/20 0.31
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
CNR2 P34972 1/20 0.30
PRCP P42785 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
SCHEMBL7926929 0.81 BACE1 (0.48) BACE1EPHX2GRIN1GRIN2BFFAR4
SCHEMBL9913100 0.81 BACE1 (0.48) BACE1EPHX2GRIN1GRIN2BFFAR4
SCHEMBL8023134 0.80 BACE1 (0.34) BACE1
SCHEMBL2619826 0.80 BACE1 (0.34) BACE1
SCHEMBL2622880 0.77 HDAC4 (0.33)
SCHEMBL2619978 0.68 BACE1 (0.40) BACE1HDAC6SCN9ACNR2
SCHEMBL2966687 0.66 BACE1 (0.39) BACE1GRIN1
SCHEMBL12690000 0.66 BACE1 (0.39) BACE1GRIN1
SCHEMBL2619831 0.66 BACE1 (0.39) BACE1GRIN1
SCHEMBL14893791 0.66 BACE1 (0.35) BACE1GRIN1GRIN2BHDAC6FFAR4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 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 (3 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885EPHX2 860/4885GRIN1 61/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885EPHX2 860/4885GRIN1 61/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885EPHX2 2378/4885GRIN1 72/4885

“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.