SCHEMBL9913097

SCHEMBL9913097

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3F)COCC[C@H]2CS1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.43
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
BACE2 Q9Y5Z0 2/20 0.37
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
BRAF P15056 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
GNRHR P30968 1/20 0.33

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
SCHEMBL7918850 1.00 BACE1 (0.43) BACE1KCNH2CYP2D6BACE2DRD2
SCHEMBL7918889 1.00 BACE1 (0.43) BACE1KCNH2CYP2D6BACE2DRD2
SCHEMBL8030093 0.92 BACE1 (0.44) BACE1KCNH2CYP2D6BACE2DRD2
SCHEMBL13009269 0.92 BACE1 (0.44) BACE1KCNH2CYP2D6BACE2DRD2
SCHEMBL12391065 0.91 NPC1 (0.37) BACE1KCNH2CYP2D6DRD2ALDH1A1
SCHEMBL9913101 0.89 BACE1 (0.46) BACE1KCNH2CYP2D6DRD2HTT
SCHEMBL7923706 0.89 BACE1 (0.46) BACE1KCNH2CYP2D6DRD2HTT
SCHEMBL2619807 0.88 BACE2 (0.43) BACE1KCNH2CYP2D6BACE2DRD2
SCHEMBL3302018 0.88 BACE1 (0.45) BACE1KCNH2CYP2D6BACE2ALDH1A1
SCHEMBL3302012 0.88 BACE1 (0.45) BACE1KCNH2CYP2D6BACE2ALDH1A1

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
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
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP 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 1/4885KCNH2 1984/4885CYP2D6 1117/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885KCNH2 2173/4885CYP2D6 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.