SCHEMBL5098543

SCHEMBL5098543

Cn1c(-c2ccc(C(F)(F)F)cc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.69
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
DRD2 P14416 5/20 0.38
DRD3 P35462 4/20 0.38
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL5092255 0.85 HSD11B1 (0.67) HSD11B1KDM4EPIM1
SCHEMBL5105117 0.85 HSD11B1 (0.74) HSD11B1
SCHEMBL5092195 0.85 HSD11B1 (0.78) HSD11B1
SCHEMBL5098586 0.84 HSD11B1 (0.64) HSD11B1
SCHEMBL5098612 0.82 HSD11B1 (0.74) HSD11B1
SCHEMBL5095896 0.82 HSD11B1 (0.74) HSD11B1
SCHEMBL14301752 0.82 HSD11B1 (0.74) HSD11B1
Fig 1 SCHEMBL5095865 0.82 HSD11B1 (1.00) HSD11B1DRD2
SCHEMBL5104995 0.80 HSD11B1 (0.71) HSD11B1
SCHEMBL5095961 0.80 HSD11B1 (0.71) HSD11B1DRD2DRD3

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-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885GABBR2 3743/4885GABBR1 3437/4885

“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.