SCHEMBL3529938

SCHEMBL3529938

Cn1c(C2CC2)c(C2CC2)c(=O)n1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
BCHE P06276 1/20 0.39
SRC P12931 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
MGLL Q99685 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3535479 0.85 BCHE (0.39) HSD11B1BCHESRCKMT2AMEN1
SCHEMBL3532450 0.85 HSD11B1 (0.42) HSD11B1KMT2AMEN1ALOX5MGLL
SCHEMBL3527381 0.84 HSD11B1 (0.50) HSD11B1BCHEKMT2AMEN1SMN1; SMN2
SCHEMBL3528842 0.83 HSD11B1 (0.40) HSD11B1SRCKMT2AMEN1DRD2
SCHEMBL3531461 0.81 HSD11B1 (0.55) HSD11B1KMT2AMEN1
SCHEMBL3529297 0.80 HSD11B1 (0.47) HSD11B1BCHEKMT2AMEN1SMN1; SMN2
SCHEMBL3530031 0.78 PTPN11 (0.43) HSD11B1DRD2DRD3
SCHEMBL3525729 0.77 HSD11B1 (0.53) HSD11B1KMT2ASMN1; SMN2ALOX5MGLL
SCHEMBL3527433 0.75 HSD11B1 (0.41) HSD11B1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL3529011 0.74 NAPRT (0.41) KMT2AMEN1DRD2DRD3KCNH2

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 1/4885BCHE 3245/4885SRC 3176/4885

“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.