SCHEMBL74426

SCHEMBL74426

CC1(c2ccccc2F)CN(C2C3CC4CC2CC(CO)(C4)C3)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.41
ESR1 P03372 1/20 0.36
CYP2C9 P11712 1/20 0.36
ESR2 Q92731 1/20 0.36
EPHX2 P34913 2/20 0.33
HSD11B2 P80365 1/20 0.33
P2RX7 Q99572 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 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
SCHEMBL76006 0.88 HSD11B1 (0.37) HSD11B1ESR1CYP2C9ESR2HSD11B2
SCHEMBL75638 0.86 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL74930 0.83 HSD11B1 (0.35) HSD11B1ESR1CYP2C9ESR2HSD11B2
SCHEMBL75857 0.83 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL4083612 0.81 SCN9A (0.39) HSD11B1HSD11B2P2RX7CNR2ALDH1A1
SCHEMBL4094357 0.78 HSD11B1 (0.41) HSD11B1ESR1CYP2C9ESR2EPHX2
SCHEMBL4079042 0.75 ESR1 (0.39) HSD11B1ESR1CYP2C9ESR2HSD11B2
SCHEMBL75282 0.74 HSD11B1 (0.43) HSD11B1
SCHEMBL76609 0.74 HSD11B1 (0.43) HSD11B1
SCHEMBL75123 0.72 HSD11B1 (0.49) HSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 HSD11B1 1/4885ESR1 416/4885CYP2C9 80/4885

“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.