SCHEMBL9913100

SCHEMBL9913100

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
OPRD1 P41143 1/20 0.32
BDKRB1 P46663 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CXCR2 P25025 1/20 0.31
CNR2 P34972 1/20 0.30
EPHX2 P34913 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 1.00 BACE1 (0.48) BACE1DDB1CRBNGRIN1GRIN2B
SCHEMBL2632348 0.81 BACE1 (0.39) BACE1GRIN1GRIN2BFFAR4CNR2
SCHEMBL3299951 0.80 BACE1 (0.43) BACE1
SCHEMBL7925285 0.80 BACE1 (0.43) BACE1
SCHEMBL12391079 0.77 MMP1 (0.35) BACE1
SCHEMBL14733552 0.73 BACE1 (0.45) BACE1
SCHEMBL7925997 0.71 EPHX1 (0.39) BACE1
SCHEMBL1936096 0.71 EPHX1 (0.39) BACE1
SCHEMBL7924087 0.71 CXCR2 (0.34) FFAR4CXCR2
SCHEMBL3300613 0.71 CXCR2 (0.34) FFAR4CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885DDB1 2396/4885CRBN 186/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885DDB1 3424/4885CRBN 508/4885

“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.