SCHEMBL22899088

SCHEMBL22899088

C=C(C)Cn1c(=O)n(CCCC)c(=O)n(CC(C)(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 4/20 0.42
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CNR2 P34972 9/20 0.36
RGS8 P57771 2/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
CCR6 P51684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 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
SCHEMBL22898911 0.91 HTT (0.34) RGS4PDE4AADORA2AADORA2BPDE4B
SCHEMBL22899086 0.89 RGS4 (0.43) RGS4PDE4AADORA2AADORA2BPDE4B
SCHEMBL22899022 0.89 RGS4 (0.43) RGS4PDE4AADORA2AADORA2BPDE4B
SCHEMBL19116664 0.87 HTT (0.39) ADORA2BL3MBTL1HTT
SCHEMBL24404215 0.84 RGS4 (0.41) RGS4PDE4AADORA2AADORA2BPDE4B
SCHEMBL22899028 0.84 GRM2 (0.37) HTT
SCHEMBL11182513 0.80 HTT (0.41) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL22898910 0.78 HTT (0.40) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL22899034 0.78 HTT (0.40) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL11185773 0.78 HTT (0.40) PDE4AADORA2AADORA2BPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210020991-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2021-01-21 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-20210020991-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY SLC9B2, SLC9A1, SLC9A2 RGS4 2541/4885PDE4A 3232/4885ADORA2A 4139/4885

“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.