SCHEMBL10096809

SCHEMBL10096809

Cc1ccc(COC23CCC(C)(CC2)C(F)(F)C3F)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.35
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
TRPA1 O75762 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
IDO1 P14902 1/20 0.31
NAAA Q02083 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
SCHEMBL10098059 0.89 IDO1 (0.33) CA2IDO1
SCHEMBL10098049 0.84 AGXT (0.34) AGXTGRM2GRM3TRPA1CA1
SCHEMBL10096841 0.83 MAOB (0.34) AGXTGRM2GRM3
SCHEMBL10096874 0.72 AGXT (0.38) AGXTGRM2GRM3TRPA1CA1
SCHEMBL10096807 0.69 KDM4E (0.32)
SCHEMBL10096803 0.67
SCHEMBL10097016 0.66 AGXT (0.38) AGXTTRPA1CA1CA2CA9
SCHEMBL10096848 0.65
SCHEMBL10098290 0.63 AGXT (0.38) AGXTGRM2GRM3TRPA1CA1
SCHEMBL10097094 0.63 AGXT (0.38) AGXTTRPA1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124196-B2 Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2010-09-16 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-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF AFF2, FPR2, SLCO1A2 AGXT 3784/4885GRM2 2121/4885GRM3 3468/4885

“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.