SCHEMBL3525619

SCHEMBL3525619

Cn1c(C2(C)CC2)cc(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.48
CYP3A4 P08684 2/20 0.48
HTR1A P08908 1/20 0.39
TDP1 Q9NUW8 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HCAR1 Q9BXC0 2/20 0.35
NOTUM Q6P988 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
APLNR P35414 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
SCHEMBL3531882 0.77 CYP3A4 (0.43) HSD11B1CYP3A4TDP1L3MBTL1MEN1
SCHEMBL3532411 0.77 HSD11B1 (0.49) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3533131 0.75 HSD11B1 (0.47) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3527197 0.75 HSD11B1 (0.41) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3533292 0.75 HSD11B1 (0.46) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3529879 0.74 HSD11B1 (0.57) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3525634 0.73 HSD11B1 (0.43) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3529340 0.73 HSD11B1 (0.45) HSD11B1CYP3A4HTR1ATDP1L3MBTL1
SCHEMBL3526855 0.72 HSD11B1 (0.66) HSD11B1CYP3A4TDP1L3MBTL1NOTUM
SCHEMBL3534371 0.66 ALDH1A1 (0.39) HSD11B1CYP3A4HTR1ATDP1L3MBTL1

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 1/4885CYP3A4 45/4885HTR1A 659/4885

“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.