SCHEMBL3528906

SCHEMBL3528906

Cn1c(C2CC2)c(C2CC2)c(=O)n1-c1cccc(F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.41
CYP3A4 P08684 1/20 0.41
HCAR1 Q9BXC0 1/20 0.36
P2RX7 Q99572 1/20 0.36
OPRL1 P41146 1/20 0.35
ABCB1 P08183 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SCN9A Q15858 1/20 0.31
KMT2A Q03164 1/20 0.31
CCR3 P51677 1/20 0.31
SMURF1 Q9HCE7 2/20 0.30

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
SCHEMBL3531475 0.87 CYP3A4 (0.36) HSD11B1CYP3A4HCAR1P2RX7OPRL1
SCHEMBL3528469 0.84 HSD11B1 (0.45) HSD11B1CYP3A4KMT2ASMURF1
SCHEMBL3527102 0.81 HSD11B1 (0.57) HSD11B1CYP3A4HCAR1OPRL1KMT2A
SCHEMBL3526821 0.78 HSD11B1 (0.54) HSD11B1CYP3A4HCAR1OPRL1KMT2A
SCHEMBL3531003 0.77 HCAR1 (0.37) HSD11B1CYP3A4HCAR1P2RX7KMT2A
SCHEMBL3527399 0.76 HSD11B1 (0.43) HSD11B1CYP3A4HCAR1P2RX7
SCHEMBL3527906 0.76 HCAR1 (0.43) HSD11B1CYP3A4HCAR1P2RX7SCN9A
SCHEMBL3530031 0.76 PTPN11 (0.43) HSD11B1CYP3A4OPRL1SLC6A2SLC6A4
SCHEMBL3527592 0.76 SMN1; SMN2 (0.37) HSD11B1CYP3A4OPRL1KMT2A
SCHEMBL15135570 0.75 HSD11B1 (0.74) HSD11B1CYP3A4

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 8 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 claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
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 45/4885HCAR1 946/4885

“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.