SCHEMBL2108685

SCHEMBL2108685

CC(C)(C)N(C(=O)O)C1=N[C@@]2(c3cc(N)ccc3F)C[C@@H](F)C[C@H]2CS1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.36
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.33
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL2110418 1.00 BACE1 (0.36) BACE1KCNH2CYP2D6CTSDBACE2
SCHEMBL2110416 1.00 BACE1 (0.36) BACE1KCNH2CYP2D6CTSDBACE2
SCHEMBL2108489 0.91 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2
SCHEMBL2108493 0.91 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2
SCHEMBL2108012 0.91 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2
SCHEMBL2110303 0.91 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2
SCHEMBL2108109 0.91 BACE1 (0.36) BACE1KCNH2CYP2D6BACE2
SCHEMBL2109335 0.89 BACE1 (0.35) BACE1KCNH2CYP2D6CTSDBACE2
SCHEMBL2107946 0.89 BACE1 (0.35) BACE1KCNH2CYP2D6CTSDBACE2
SCHEMBL2108699 0.89 BACE1 (0.35) BACE1KCNH2CYP2D6CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 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 (1 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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885KCNH2 2010/4885CYP2D6 1422/4885

“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.