SCHEMBL2029162

SCHEMBL2029162

CCN1CCC(CCF)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.39
PER2 O15055 2/20 0.36
CRY2 Q49AN0 2/20 0.36
PIK3CD O00329 1/20 0.34
CHRNA7 P36544 1/20 0.32
GAA P10253 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
INMT O95050 1/20 0.30

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
SCHEMBL2036742 0.86 ACE (0.40) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL26861466 0.86 ACE (0.40) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL2037970 0.84 ACE (0.41) ACEPER2CRY2PIK3CD
SCHEMBL17144508 0.82 ACE (0.40) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL17144590 0.82 ACE (0.40) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL758907 0.82 ACE (0.42) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL2145804 0.80 CYP1A2 (0.40) ACECHRNA7L3MBTL1
SCHEMBL27151873 0.78 ACE (0.43) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL2038748 0.78 ACE (0.37) ACEPER2CRY2PIK3CDCHRNA7
SCHEMBL7349420 0.78 ACE (0.39) ACEPER2CRY2PIK3CDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485314-A1 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary cell Mitsubishi Chemical Corporation (JP) 2012-08-08 EP disclosed
US-8178246-B2 Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-15 US disclosed
EP-2339684-A2 Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds Mitsubishi Chemical Corporation (JP) 2011-06-29 EP disclosed
US-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-08 US disclosed
EP-1890357-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND CARBONATE COMPOUND Mitsubishi Chemical Corporation (JP) 2008-02-20 EP 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-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS SLC9A1, NHERF1, CA2 ACE 2266/4885PER2 2613/4885CRY2 1067/4885

“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.