SCHEMBL3529353

SCHEMBL3529353

CCn1c(C2CC2)c(Br)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM2 Q14416 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
FPR2 P25090 1/20 0.32
TSHR P16473 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
SCHEMBL3530868 0.86 HSD11B1 (0.43) HSD11B1ALDH1A1TP53MAPTGRM2
SCHEMBL3538283 0.84 HSD11B1 (0.37) HSD11B1ALDH1A1L3MBTL1MAPTGRM2
SCHEMBL3527822 0.83 MEN1 (0.37) HSD11B1ALDH1A1L3MBTL1FPR2TSHR
SCHEMBL3528744 0.78 HSD11B1 (0.43) HSD11B1TP53MAPT
SCHEMBL3531163 0.77 MEN1 (0.38) HSD11B1TP53MAPTGRM2
SCHEMBL3531866 0.77 HSD11B1 (0.40) HSD11B1TP53MAPTGRM2
SCHEMBL3534236 0.74 HSD11B1 (0.37) HSD11B1TP53
SCHEMBL3533087 0.73 MCHR1 (0.33) HSD11B1GRM2GRIA2GRIN1GRIN2A
SCHEMBL3526545 0.73 CYP3A4 (0.41) HSD11B1ALDH1A1L3MBTL1MAPT
SCHEMBL3531667 0.71 HSD11B1 (0.38) HSD11B1ALDH1A1NPC1RAB9A

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 HSD11B1 1/4885ALDH1A1 105/4885L3MBTL1 4505/4885

“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.