SCHEMBL3530675

SCHEMBL3530675

O=c1c(C2CC2)c(C2CC2)n(Cc2ccc(F)cc2F)n1-c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
HSD11B1 P28845 3/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
F2 P00734 1/20 0.33
MAPK14 Q16539 2/20 0.32
IDO1 P14902 1/20 0.32
AGXT P21549 1/20 0.32

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
SCHEMBL3535154 0.88 MAPK14 (0.39) P2RX7KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL3526953 0.85 HSD11B1 (0.51) P2RX7HSD11B1CYP3A4HTR2AHTR2C
SCHEMBL3531741 0.84 HSD11B1 (0.48) P2RX7HSD11B1CYP3A4KDM4EALDH1A1
SCHEMBL3531732 0.80 HSD11B1 (0.53) HSD11B1CYP3A4SMN1; SMN2ALDH1A1HTR2A
SCHEMBL3530514 0.80 P2RX7 (0.40) P2RX7KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL3531568 0.78 HSD11B1 (0.61) HSD11B1CYP3A4SMN1; SMN2ALDH1A1BCHE
SCHEMBL3525668 0.78 HSD11B1 (0.36) P2RX7HSD11B1CYP3A4MAPK14
SCHEMBL3527332 0.75 HSD11B1 (0.43) HSD11B1CYP3A4SMN1; SMN2HTR2AHTR2C
SCHEMBL3534038 0.74 HSD11B1 (0.43) HSD11B1CYP3A4SMN1; SMN2HTR2AHTR2C
SCHEMBL3531974 0.74 HSD11B1 (0.45) HSD11B1CYP3A4KDM4ESMN1; SMN2ALDH1A1

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 P2RX7 2161/4885HSD11B1 1/4885CYP3A4 45/4885

“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.