SCHEMBL3528744

SCHEMBL3528744

CCn1c(C)c(C2CC2)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
CYP3A4 P08684 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR3 P51677 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL3530868 0.86 HSD11B1 (0.43) HSD11B1CYP3A4TP53MAPTPTGS1
SCHEMBL3531866 0.83 HSD11B1 (0.40) HSD11B1CYP3A4TP53MAPTPTGS1
SCHEMBL3530986 0.81 MEN1 (0.47) HSD11B1PTGS2MEN1KMT2ACCR3
SCHEMBL3531667 0.79 HSD11B1 (0.38) HSD11B1MEN1KMT2A
SCHEMBL3529353 0.78 HSD11B1 (0.38) HSD11B1TP53MAPT
SCHEMBL3533087 0.73 MCHR1 (0.33) HSD11B1HTR7
SCHEMBL3527433 0.72 HSD11B1 (0.41) HSD11B1MAPTPTGS1PTGS2MEN1
SCHEMBL3528063 0.71 HSD11B1 (0.38) HSD11B1PTGS1PTGS2MEN1KMT2A
SCHEMBL3530319 0.71 HSD11B1 (0.42) HSD11B1CYP3A4MAPTMEN1KMT2A
SCHEMBL3532268 0.69 CCR3 (0.41) HSD11B1CYP3A4MAPTMEN1KMT2A

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 2 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
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 45/4885TP53 3775/4885

“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.