SCHEMBL3530307

SCHEMBL3530307

Cn1c(C2CC2)c(C2CC2)c(=O)n1-c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
CYP3A4 P08684 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1B P35368 2/20 0.34
GRM2 Q14416 2/20 0.34
TP53 P04637 2/20 0.34
ACACB O00763 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 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
SCHEMBL3525668 0.89 HSD11B1 (0.36) HSD11B1CYP3A4CNR1CNR2L3MBTL1
SCHEMBL3531287 0.85 HSD11B1 (0.38) HSD11B1CYP3A4CNR1CNR2L3MBTL1
SCHEMBL3527399 0.85 HSD11B1 (0.43) HSD11B1CYP3A4
SCHEMBL3528469 0.83 HSD11B1 (0.45) HSD11B1CYP3A4ALDH1A1SMN1; SMN2TP53
SCHEMBL3534038 0.80 HSD11B1 (0.43) HSD11B1CYP3A4CNR1CNR2L3MBTL1
SCHEMBL3527433 0.80 HSD11B1 (0.41) HSD11B1SMN1; SMN2
SCHEMBL3527332 0.79 HSD11B1 (0.43) HSD11B1CYP3A4CNR1CNR2SMN1; SMN2
SCHEMBL3531732 0.79 HSD11B1 (0.53) HSD11B1CYP3A4CNR1CNR2ALDH1A1
SCHEMBL3532450 0.78 HSD11B1 (0.42) HSD11B1L3MBTL1ALDH1A1
SCHEMBL3531568 0.77 HSD11B1 (0.61) HSD11B1CYP3A4L3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 HSD11B1 1/4885CYP3A4 45/4885CNR1 2366/4885

“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.