SCHEMBL3067306

SCHEMBL3067306

O=C(NC1C2CC3CC(C2)CC1C3)c1cnn(-c2ccccc2)c1N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.57
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3076215 0.99 HSD11B1 (0.56) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3079492 0.90 HSD11B1 (0.54) HSD11B1CNR1CNR2ALDH1A1
SCHEMBL3062603 0.90 HSD11B1 (0.55) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3063351 0.89 HSD11B1 (0.52) HSD11B1CNR1CNR2
SCHEMBL3063126 0.88 HSD11B1 (0.52) HSD11B1CNR1CNR2
SCHEMBL3078565 0.86 HSD11B1 (0.53) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3069677 0.86 HSD11B1 (0.50) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3057271 0.84 HSD11B1 (0.55) HSD11B1CNR1CNR2ALDH1A1
SCHEMBL3082450 0.83 HSD11B1 (0.54) HSD11B1CNR1CNR2
SCHEMBL15016023 0.83 HSD11B1 (0.44) HSD11B1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP claimed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US claimed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP claimed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US claimed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO 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 (2 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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 HSD11B1 3/4885CNR1 4361/4885CNR2 4415/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885CNR1 1935/4885CNR2 2776/4885

“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.