SCHEMBL3531063

SCHEMBL3531063

O=C1CC(C2CC2)=NN1c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
MAPT P10636 1/20 0.36
ADRA1B P35368 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE4B Q07343 1/20 0.34
GLA P06280 1/20 0.33
P2RX7 Q99572 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
SCHEMBL3534159 0.89 HTR7 (0.36) MAPTADRA1BGAAMEN1CASP6
SCHEMBL3528349 0.84 HCAR1 (0.40) P2RX7
SCHEMBL3531736 0.79 KMT2A (0.44) MAPTTP53GAAMEN1KMT2A
SCHEMBL3535982 0.77 KMT2A (0.47) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL3528352 0.72 PDCD1 (0.45) MAPTADRA1BMAPK1GAAMEN1
SCHEMBL3537137 0.72 HCAR1 (0.41) MAPTADRA1BTP53GAAMEN1
SCHEMBL3532127 0.71 MAPT (0.45) MAPTGAAMEN1CASP6KMT2A
SCHEMBL3534430 0.70 GAA (0.43) MAPTADRA1BGAAMEN1CASP6
SCHEMBL3529246 0.70 ALDH1A1 (0.40) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL3531484 0.70 HCAR1 (0.47) P2RX7

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 4 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 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 CNR2 3613/4885CNR1 2366/4885MAPT 3706/4885

“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.