SCHEMBL9913101

SCHEMBL9913101

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3OC(F)(F)F)COCC[C@H]2CS1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.46
GNRHR P30968 1/20 0.35
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
WNT3A P56704 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
DRD2 P14416 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PKM P14618 2/20 0.32
HTT P42858 1/20 0.32
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL7923706 1.00 BACE1 (0.46) BACE1GNRHRCYP2D6KCNH2WNT3A
SCHEMBL9913097 0.89 BACE1 (0.43) BACE1GNRHRCYP2D6KCNH2SIRT2
SCHEMBL7918850 0.89 BACE1 (0.43) BACE1GNRHRCYP2D6KCNH2SIRT2
SCHEMBL7918889 0.89 BACE1 (0.43) BACE1GNRHRCYP2D6KCNH2SIRT2
SCHEMBL12391065 0.88 NPC1 (0.37) BACE1GNRHRCYP2D6KCNH2SIRT2
SCHEMBL2619972 0.88 GNRHR (0.35) BACE1GNRHRWNT3ASIRT2DRD2
SCHEMBL7918182 0.88 BACE1 (0.53) BACE1CYP2D6KCNH2WNT3AIDH1
SCHEMBL7918201 0.88 BACE1 (0.53) BACE1CYP2D6KCNH2WNT3AIDH1
SCHEMBL9913099 0.88 BACE1 (0.53) BACE1CYP2D6KCNH2WNT3AIDH1
SCHEMBL9913425 0.82 SIRT2 (0.34) BACE1CYP2D6KCNH2SIRT2BCL2

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 2 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-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 (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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885GNRHR 3750/4885CYP2D6 1117/4885

“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.