SCHEMBL3526762

SCHEMBL3526762

O=c1c(C2CC2)c(C2CC2)n(Cc2ccccc2)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
CYP3A4 P08684 3/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
C5AR1 P21730 1/20 0.36
P2RX7 Q99572 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL3533055 0.88 PDE4A (0.39) HSD11B1CYP3A4PDE4APDE4BPDE4C
SCHEMBL3527170 0.86 HSD11B1 (0.46) HSD11B1CYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL3530125 0.85 CYP3A4 (0.43) HSD11B1CYP3A4KDM4EL3MBTL1CYP2C9
SCHEMBL3527102 0.79 HSD11B1 (0.57) HSD11B1CYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL3526700 0.79 KDM4E (0.39) HSD11B1CYP3A4PDE4APDE4BPDE4C
SCHEMBL3526953 0.78 HSD11B1 (0.51) HSD11B1CYP3A4L3MBTL1CYP2C9CYP2C19
SCHEMBL3531568 0.78 HSD11B1 (0.61) HSD11B1CYP3A4ALDH1A1L3MBTL1CYP2C9
SCHEMBL3526821 0.76 HSD11B1 (0.54) HSD11B1CYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL3526545 0.74 CYP3A4 (0.41) HSD11B1CYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL3527054 0.74 HSD11B1 (0.59) HSD11B1CYP3A4KDM4EALDH1A1L3MBTL1

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 45/4885PDE4A 278/4885

“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.