SCHEMBL3534038

SCHEMBL3534038

O=c1c(C2CC2)c(C2CC2)n(CCC(F)(F)F)n1-c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
CYP3A4 P08684 1/20 0.42
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 2/20 0.33
ADRA1B P35368 3/20 0.33
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
HTR1A P08908 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLK1 P53350 1/20 0.31
GRM2 Q14416 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3529149 0.90 HSD11B1 (0.41) HSD11B1CYP3A4CNR1CNR2TP53
SCHEMBL3531568 0.81 HSD11B1 (0.61) HSD11B1CYP3A4ADRA1BADRA1DADRA1A
SCHEMBL3530307 0.80 HSD11B1 (0.43) HSD11B1CYP3A4CNR1CNR2TP53
SCHEMBL3531741 0.80 HSD11B1 (0.48) HSD11B1CYP3A4ADRA1BADRA1DADRA1A
SCHEMBL3534235 0.78 HSD11B1 (0.39) HSD11B1CYP3A4CNR1CNR2TP53
SCHEMBL4365844 0.77 HSD11B1 (0.73) HSD11B1CYP3A4
SCHEMBL3531974 0.76 HSD11B1 (0.45) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL3530675 0.74 P2RX7 (0.38) HSD11B1CYP3A4SMN1; SMN2HTR2AHTR2C
SCHEMBL3527399 0.71 HSD11B1 (0.43) HSD11B1CYP3A4
SCHEMBL3526953 0.71 HSD11B1 (0.51) HSD11B1CYP3A4HTR2AHTR2CL3MBTL1

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.