SCHEMBL3535358

SCHEMBL3535358

Cn1c(C2CC2)cc(=O)n1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
CYP3A4 P08684 1/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA1B P35368 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPK14 Q16539 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL3528700 0.90 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4L3MBTL1
SCHEMBL3535467 0.85 MEN1 (0.41) HSD11B1ALDH1A1
SCHEMBL3537047 0.84 HCAR1 (0.40) HSD11B1CYP3A4
SCHEMBL3530770 0.81 NAPRT (0.39) ALDH1A1
SCHEMBL3529672 0.79 HSD11B1 (0.45) HSD11B1CYP3A4ALDH1A1ADRA1BMAPK1
SCHEMBL3526622 0.78 HSD11B1 (0.36) HSD11B1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3533983 0.78 HSD11B1 (0.36) HSD11B1CYP3A4OPRM1ALDH1A1CNR1
SCHEMBL3533567 0.77 FAAH (0.41) ALDH1A1L3MBTL1GRM2
SCHEMBL3531263 0.77 HSD11B1 (0.53) HSD11B1CYP3A4ALDH1A1ADRA1BHTR1A
SCHEMBL3531092 0.76 HSD11B1 (0.41) HSD11B1CYP3A4ALDH1A1L3MBTL1CYP2D6

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 1/4885GRIA1 900/4885GRIA2 2679/4885

“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.