SCHEMBL10097037

SCHEMBL10097037

CC12CCC(COc3ccc(C(F)(F)F)cc3)(C=C1F)CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
MAOB P27338 6/20 0.36
PPARD Q03181 1/20 0.36
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AOC3 Q16853 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PTPN1 P18031 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
SCHEMBL10097026 0.85 DRD2 (0.36) DRD2ALDH1A1
SCHEMBL10097046 0.84 KCNH2 (0.30)
SCHEMBL10098333 0.83 LTA4H (0.37) LTA4H
SCHEMBL10097103 0.76 DRD2 (0.40) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL12083017 0.70 PPARD (0.47) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL10096892 0.68 DRD2 (0.40) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL2114367 0.67 MAOB (0.40) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL11742464 0.67 MAOB (0.40) DRD2MAOBPPARDLTA4HPTPN1
SCHEMBL10096825 0.65 DRD2 (0.38) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL10098243 0.64

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 DRD2 1385/4885MAOB 271/4885PPARD 3229/4885

“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.