SCHEMBL3526953

SCHEMBL3526953

O=c1c(C2CC2)c(C2CC2)n(Cc2ccccc2)n1-c1cc(F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CHRM4 P08173 2/20 0.38
DPP4 P27487 1/20 0.37
EGFR P00533 1/20 0.36
P2RX7 Q99572 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARK7 Q99497 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
SCHEMBL3531568 0.91 HSD11B1 (0.61) HSD11B1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL3530836 0.89 HSD11B1 (0.46) HSD11B1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL3530675 0.85 P2RX7 (0.38) HSD11B1CYP3A4P2RX7BCHEACHE
SCHEMBL3531732 0.84 HSD11B1 (0.53) HSD11B1CYP3A4CHRM4HTR2A
SCHEMBL3531778 0.80 HSD11B1 (0.44) HSD11B1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL3535544 0.80 HSD11B1 (0.56) HSD11B1CYP3A4SIGMAR1CHRM4BCHE
SCHEMBL3531741 0.79 HSD11B1 (0.48) HSD11B1CYP3A4CYP2C9CYP2C19P2RX7
SCHEMBL3526762 0.78 HSD11B1 (0.43) HSD11B1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL3525668 0.77 HSD11B1 (0.36) HSD11B1CYP3A4P2RX7DRD2L3MBTL1
SCHEMBL3531974 0.75 HSD11B1 (0.45) HSD11B1CYP3A4

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 45/4885CYP2C9 90/4885

“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.