SCHEMBL7939461

SCHEMBL7939461

CC(C)(C)OC(=O)NC1=NC2(CCOc3ccc(NC(=O)c4ccc(C#N)cn4)cc32)CCS1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
BACE2 Q9Y5Z0 13/20 0.58
KCNH2 Q12809 2/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL15158024 0.89 BACE1 (0.62) BACE1BACE2KCNH2
SCHEMBL7941624 0.87 BACE1 (0.58) BACE1BACE2
SCHEMBL1992666 0.84 BACE1 (0.68) BACE1BACE2KCNH2
SCHEMBL1989580 0.82 BACE1 (0.58) BACE1BACE2KCNH2
SCHEMBL7940166 0.78 BACE1 (0.43) BACE1BACE2
SCHEMBL7934145 0.78 BACE1 (0.38) BACE1BACE2
SCHEMBL15834406 0.76 BACE1 (0.71) BACE1BACE2KCNH2
SCHEMBL15157959 0.76 BACE1 (0.62) BACE1BACE2
SCHEMBL14556112 0.76 BACE1 (0.72) BACE1BACE2KCNH2CYP1A2CYP3A4
SCHEMBL7943032 0.76 SIRT2 (0.38) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318416-B1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 US disclosed
WO-2010013794-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-04 WO 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-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 2826/4885

“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.