SCHEMBL11026080

SCHEMBL11026080

CCOc1ccc(C(=O)Nc2ccc(F)c([C@]34CO[C@H](C)[C@H]3CSC(N)=N4)c2)nc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
BACE2 Q9Y5Z0 8/20 0.65
KCNH2 Q12809 3/20 0.64
CYP2D6 P10635 2/20 0.64

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
SCHEMBL11028536 0.92 BACE1 (0.62) BACE1BACE2KCNH2CYP2D6
SCHEMBL2620150 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL2926322 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL2936367 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL2620147 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL13177369 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL2977539 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL2620153 0.90 BACE1 (0.78) BACE1BACE2KCNH2CYP2D6
SCHEMBL2926862 0.86 BACE1 (0.76) BACE1BACE2KCNH2CYP2D6
SCHEMBL8030120 0.86 BACE1 (0.76) BACE1BACE2KCNH2CYP2D6

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 6 patents. 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-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-8592408-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-26 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885KCNH2 1537/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885KCNH2 1537/4885

“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.