SCHEMBL6919726

SCHEMBL6919726

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.37
BACE2 Q9Y5Z0 6/20 0.37
DRD2 P14416 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSD P07339 1/20 0.35
WDR5 P61964 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
BCL2 P10415 2/20 0.33
BECN1 Q14457 2/20 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
SCHEMBL8516408 0.89 MAPT (0.40) BACE1BACE2MAPTKMT2AWDR5
SCHEMBL8516412 0.89 MAPT (0.40) BACE1BACE2MAPTKMT2AWDR5
SCHEMBL6920129 0.87 BACE1 (0.41) BACE1BACE2
SCHEMBL6920116 0.85 BACE1 (0.40) BACE1BACE2CTSDALDH1A1
SCHEMBL6921552 0.85 DRD2 (0.40) BACE1BACE2DRD2CTSDALDH1A1
SCHEMBL991904 0.84 BACE1 (0.37) BACE1BACE2DRD2
SCHEMBL6919820 0.83 ALDH1A1 (0.36) BACE1BACE2DRD2CTSDALDH1A1
SCHEMBL8515680 0.82 BACE1 (0.34) BACE1BACE2DRD2
SCHEMBL8515678 0.82 BACE1 (0.34) BACE1BACE2DRD2
SCHEMBL6920108 0.80 BACE1 (0.52) BACE1BACE2CTSD

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-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 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-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885DRD2 362/4885

“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.