SCHEMBL11028536

SCHEMBL11028536

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

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.62
KCNH2 Q12809 3/20 0.61
CYP2D6 P10635 2/20 0.61
BACE2 Q9Y5Z0 9/20 0.61

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
SCHEMBL11026080 0.92 BACE1 (0.73) BACE1KCNH2CYP2D6BACE2
SCHEMBL2620157 0.90 BACE1 (0.73) BACE1KCNH2CYP2D6BACE2
SCHEMBL2107121 0.90 BACE1 (0.73) BACE1KCNH2CYP2D6BACE2
SCHEMBL2107119 0.90 BACE1 (0.73) BACE1KCNH2CYP2D6BACE2
SCHEMBL2108633 0.89 BACE1 (0.69) BACE1KCNH2BACE2
SCHEMBL2108096 0.89 BACE1 (0.69) BACE1KCNH2CYP2D6BACE2
SCHEMBL8030245 0.89 BACE1 (0.64) BACE1KCNH2CYP2D6BACE2
SCHEMBL11949355 0.87 BACE1 (0.71) BACE1KCNH2BACE2
SCHEMBL2108207 0.86 BACE1 (0.78) BACE1KCNH2BACE2
SCHEMBL2620142 0.86 BACE1 (0.72) BACE1KCNH2CYP2D6BACE2

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 1/4885KCNH2 1537/4885CYP2D6 2083/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885KCNH2 1537/4885CYP2D6 2083/4885

“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.