SCHEMBL3533983

SCHEMBL3533983

O=c1cc(C2CC2)n(CC(F)(F)F)n1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
CYP3A4 P08684 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK14 Q16539 4/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
GRM2 Q14416 2/20 0.32
MAPK1 P28482 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 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
SCHEMBL3526622 0.88 HSD11B1 (0.36) HSD11B1CYP3A4CNR1CNR2MAPK14
SCHEMBL3529672 0.84 HSD11B1 (0.45) HSD11B1CYP3A4HTR2AGRM2MAPK1
SCHEMBL3531263 0.81 HSD11B1 (0.53) HSD11B1CYP3A4HTR2AHTR2CHTR1A
SCHEMBL3531092 0.81 HSD11B1 (0.41) HSD11B1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3527332 0.78 HSD11B1 (0.43) HSD11B1CYP3A4CNR1CNR2PSEN1
SCHEMBL3534235 0.78 HSD11B1 (0.39) HSD11B1CYP3A4CNR1CNR2PSEN1
SCHEMBL3535358 0.78 HSD11B1 (0.38) HSD11B1CYP3A4CNR1CNR2MAPK14
SCHEMBL3535175 0.77 KDM4E (0.42) HSD11B1CYP3A4ALDH1A1OPRM1
SCHEMBL3530514 0.75 P2RX7 (0.40) HTR2AHTR2CALDH1A1
SCHEMBL3531778 0.72 HSD11B1 (0.44) HSD11B1CYP3A4CYP2C9CYP2C19HTR2A

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 45/4885CNR1 2366/4885

“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.