SCHEMBL3528034

SCHEMBL3528034

CCn1c(C2CC2)c(C2CC2)c(=O)n1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
HCAR1 Q9BXC0 2/20 0.35
MGLL Q99685 1/20 0.34
NOTUM Q6P988 1/20 0.34
P2RX7 Q99572 3/20 0.34
PTPN11 Q06124 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL3534236 0.86 HSD11B1 (0.37) HSD11B1HCAR1MGLLNOTUMP2RX7
SCHEMBL3527170 0.82 HSD11B1 (0.46) HSD11B1HCAR1P2RX7KDM4E
SCHEMBL3525729 0.82 HSD11B1 (0.53) HSD11B1HCAR1MGLLNOTUMPTPN11
SCHEMBL3528842 0.79 HSD11B1 (0.40) HSD11B1P2RX7ADRA1B
SCHEMBL3530868 0.74 HSD11B1 (0.43) HSD11B1
SCHEMBL3532454 0.74 ALDH1A1 (0.38) HSD11B1HCAR1MGLLNOTUMP2RX7
SCHEMBL3530319 0.73 HSD11B1 (0.42) HSD11B1MGLLKDM4E
SCHEMBL3530751 0.72 LMNA (0.39) HSD11B1MGLLMAPK14LMNA
SCHEMBL15151481 0.72 HSD11B1 (0.73) HSD11B1
SCHEMBL4367319 0.72 HSD11B1 (0.73) HSD11B1

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 1/4885HCAR1 946/4885MGLL 2403/4885

“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.