SCHEMBL3535746

SCHEMBL3535746

O=c1c(Br)c(C2CC2)n(Cc2ccc(F)cc2)n1-c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
CYP3A4 P08684 1/20 0.48
GRM2 Q14416 2/20 0.36
HTR2A P28223 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCR3 P49682 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
SCHEMBL3535544 0.93 HSD11B1 (0.56) HSD11B1CYP3A4ADRA1DADRA1AADRA1B
SCHEMBL3531732 0.88 HSD11B1 (0.53) HSD11B1CYP3A4GRM2HTR2AADRA1D
SCHEMBL3530690 0.85 HSD11B1 (0.43) HSD11B1CYP3A4HTR2AKMT2AMEN1
SCHEMBL3530836 0.84 HSD11B1 (0.46) HSD11B1CYP3A4HTR2AKMT2AMEN1
SCHEMBL3534235 0.83 HSD11B1 (0.39) HSD11B1CYP3A4GRM2HTR2ASMN1; SMN2
SCHEMBL3530595 0.82 HSD11B1 (0.41) HSD11B1CYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL3531568 0.81 HSD11B1 (0.61) HSD11B1CYP3A4ADRA1DADRA1AADRA1B
SCHEMBL3529149 0.81 HSD11B1 (0.41) HSD11B1CYP3A4GRM2HTR2AADRA1B
SCHEMBL3531287 0.80 HSD11B1 (0.38) HSD11B1CYP3A4GRM2SMN1; SMN2TP53
SCHEMBL3535154 0.80 MAPK14 (0.39) HTR2ASMN1; SMN2MAPK14

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 45/4885GRM2 3610/4885

“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.