SCHEMBL3529329

SCHEMBL3529329

Cn1c(C2CC2)c(Br)c(=O)n1-c1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 5/20 0.42
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
P2RX7 Q99572 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD11B1 P28845 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SCN9A Q15858 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MCHR1 Q99705 1/20 0.32
CHRM4 P08173 2/20 0.32
TRPV1 Q8NER1 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
SCHEMBL3527906 0.87 HCAR1 (0.43) HCAR1SSTR1SSTR4DDB1CRBN
SCHEMBL3531401 0.85 MGLL (0.40)
SCHEMBL3531172 0.81 HSD11B1 (0.50) HCAR1P2RX7CYP3A4HSD11B1
SCHEMBL3532708 0.80 HSD11B1 (0.39) CYP3A4HSD11B1
SCHEMBL3532712 0.78 HSD11B1 (0.46) HCAR1HSD11B1
SCHEMBL3531511 0.78 MAPT (0.40) DDB1CRBNHSD11B1
SCHEMBL3533424 0.77 LMNA (0.38) P2RX7HSD11B1
SCHEMBL3525891 0.77 HSD11B1 (0.48) HCAR1P2RX7CYP3A4HSD11B1
SCHEMBL3531475 0.76 CYP3A4 (0.36) HCAR1P2RX7CYP3A4HSD11B1CACNA1G
SCHEMBL3536266 0.76 HCAR1 (0.43) HCAR1SSTR1SSTR4DDB1CRBN

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 HCAR1 946/4885SSTR1 874/4885SSTR4 896/4885

“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.