SCHEMBL3961133

SCHEMBL3961133

FC(F)(F)c1ccc(-n2ncc3c(CBr)cccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.45
CCR1 P32246 10/20 0.44
XDH P47989 1/20 0.44
HIF1A Q16665 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NR3C1 P04150 2/20 0.40
PGR P06401 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL3964490 0.80 HIF1A (0.42) XDHHIF1ACYP11B1CYP11B2NR3C1
SCHEMBL3970530 0.79 CYP11B1 (0.55) SCN9ACCR1XDHHIF1ACYP3A4
SCHEMBL30491768 0.79 XDH (0.53) SCN9ACCR1XDHHIF1ACYP3A4
SCHEMBL30481229 0.79 XDH (0.47) SCN9ACCR1XDHHIF1ACYP3A4
SCHEMBL25274445 0.79 XDH (0.47) SCN9ACCR1XDHHIF1ACYP3A4
SCHEMBL25257558 0.79 XDH (0.53) SCN9ACCR1XDHHIF1ACYP3A4
SCHEMBL5708185 0.77 SCN9A (0.44) SCN9ACCR1XDHHIF1ANR3C1
SCHEMBL13791113 0.76 SCN9A (0.46) SCN9ACCR1XDHHIF1ACYP3A4
SCHEMBL25232839 0.73 CCR1 (0.48) SCN9ACCR1XDHNR3C1
SCHEMBL25238313 0.73 CCR1 (0.48) SCN9ACCR1XDHNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG SCN9A 2141/4885CCR1 687/4885XDH 1084/4885

“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.