SCHEMBL15904504

SCHEMBL15904504

C[C@H](CC(O)C(C)(C)C)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TSHR P16473 4/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15904503 1.00 LMNA (0.47) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29728566 0.80 TSHR (0.60) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28670946 0.80 LMNA (0.47) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28522362 0.79 CHRM2 (0.54) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28518105 0.79 CHRM2 (0.54) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3373149 0.79 CHRM2 (0.54) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL9117588 0.79 LMNA (0.54) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL225530 0.78 TSHR (0.58) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28856960 0.73 LMNA (0.48) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL18283384 0.72 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM5

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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
EP-2948456-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-02 EP disclosed
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 LMNA 649/4885TSHR 4754/4885CHRM2 3557/4885

“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.