SCHEMBL2030869

SCHEMBL2030869

O=C1CCC(C(F)F)N1CF

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PER2 O15055 7/20 0.31
CRY2 Q49AN0 1/20 0.31
CHRM2 P08172 3/20 0.30
CHRM4 P08173 3/20 0.30
CHRM5 P08912 3/20 0.30
CHRM1 P11229 3/20 0.30
CHRM3 P20309 3/20 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
SCHEMBL2035159 0.82 P2RX7 (0.35)
SCHEMBL2743813 0.73 PER2 (0.35) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL2031990 0.73 PER2 (0.33) PER2
SCHEMBL2036879 0.71 SRD5A1 (0.34)
SCHEMBL2034868 0.71 PER2 (0.35) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL13329931 0.64 PIK3CD (0.37)
SCHEMBL13329936 0.64 PIK3CD (0.37)
SCHEMBL18576422 0.64 PIK3CD (0.37)
SCHEMBL2034493 0.63 PTGER4 (0.36) PER2
SCHEMBL9852002 0.60 MAPT (0.35) PER2

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 PER2 2613/4885CRY2 1067/4885CHRM2 2907/4885

“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.