SCHEMBL9913131

SCHEMBL9913131

C[C@H]1COC[C@]2(c3cc(N)ccc3F)N=C(NC(=O)OC(C)(C)C)SC[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.40
BACE2 Q9Y5Z0 14/20 0.40
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2340636 1.00 BACE1 (0.40) BACE1BACE2CYP2D6KCNH2
SCHEMBL7918892 1.00 BACE1 (0.40) BACE1BACE2CYP2D6KCNH2
SCHEMBL7927021 1.00 BACE1 (0.40) BACE1BACE2CYP2D6KCNH2
SCHEMBL7924432 0.93 BACE1 (0.40) BACE1BACE2
SCHEMBL9913134 0.91 BACE1 (0.38) BACE1BACE2
SCHEMBL7922777 0.91 BACE1 (0.38) BACE1BACE2
SCHEMBL7928138 0.91 BACE1 (0.38) BACE1BACE2
SCHEMBL8031655 0.90 BACE1 (0.50) BACE1BACE2CYP2D6KCNH2
SCHEMBL8020348 0.90 BACE1 (0.50) BACE1BACE2CYP2D6KCNH2
SCHEMBL2619832 0.90 BACE1 (0.50) BACE1BACE2CYP2D6KCNH2

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 1/4885BACE2 2/4885CYP2D6 1117/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CYP2D6 814/4885

“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.