SCHEMBL2029317

SCHEMBL2029317

CN1CC(CC(F)F)N(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ ADRA2C P18825 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
SCHEMBL2034992 0.78 KMT2A (0.34) P2RX7KMT2AADRA2C
SCHEMBL2034403 0.76 KMT2A (0.33) P2RX7KMT2AADRA2C
SCHEMBL6937742 0.75 KMT2A (0.36) P2RX7KMT2AADRA2C
SCHEMBL11156914 0.74 BRD4 (0.44) P2RX7KMT2AADRA2C
SCHEMBL11219187 0.71 MAOA (0.33) P2RX7KMT2AADRA2C
SCHEMBL11232809 0.71 P2RX7 (0.35) P2RX7KMT2AADRA2C
SCHEMBL2035836 0.69 KMT2A (0.34) P2RX7KMT2AADRA2C
SCHEMBL2029524 0.69 P2RX7 (0.32) P2RX7
SCHEMBL2035372 0.69 PDK2 (0.33) P2RX7KMT2A
SCHEMBL2052811 0.68 PIK3CD (0.35) —

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 P2RX7 3019/4885KMT2A 1650/4885ADRA2C 4093/4885

“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.

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