SCHEMBL3533392

SCHEMBL3533392

CCn1c(C2CC2)cc(=O)n1-c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ALOX5 P09917 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BPTF Q12830 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NOTUM Q6P988 1/20 0.35
FADS1 O60427 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL3528882 0.85 MEN1 (0.40) GRM2MGLLALOX5MEN1KMT2A
SCHEMBL3533087 0.85 MCHR1 (0.33) GRM2HSD11B1
SCHEMBL3533567 0.82 FAAH (0.41) GRM2FAAHMGLLALOX5MEN1
SCHEMBL3538283 0.77 HSD11B1 (0.37) GRM2FAAHMGLLALOX5MEN1
SCHEMBL3530319 0.77 HSD11B1 (0.42) GRM2FAAHMGLLALOX5MEN1
SCHEMBL3535897 0.72 HSD11B1 (0.39) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL3529011 0.67 NAPRT (0.41) MGLLALOX5MEN1KMT2AL3MBTL1
SCHEMBL3532450 0.67 HSD11B1 (0.42) FAAHMGLLALOX5MEN1KMT2A
SCHEMBL3530770 0.66 NAPRT (0.39) MGLLMEN1KMT2APOLBALDH1A1
SCHEMBL3531778 0.66 HSD11B1 (0.44) ACHEHSD11B1

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 GRM2 3610/4885FAAH 2720/4885MGLL 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.