SCHEMBL3069677

SCHEMBL3069677

O=C(NC1C2CC3CC(C2)CC1C3)c1cnn(-c2ccccc2)c1N1CCCC(CO)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.50
IDH1 O75874 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3063351 0.88 HSD11B1 (0.52) HSD11B1CNR1CNR2
SCHEMBL3063126 0.87 HSD11B1 (0.52) HSD11B1CNR1CNR2
SCHEMBL3067306 0.86 HSD11B1 (0.57) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL15016093 0.86 HSD11B1 (0.43) HSD11B1IDH1
SCHEMBL3076215 0.85 HSD11B1 (0.56) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL13961808 0.85 ALDH1A1 (0.37) HSD11B1IDH1ALDH1A1SMN1; SMN2
SCHEMBL3651339 0.85 CASR (0.46) CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3078565 0.84 HSD11B1 (0.53) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3067103 0.83 HSD11B1 (0.52) HSD11B1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL27783371 0.83 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2

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 12 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
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP claimed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO claimed
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP 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 (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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 HSD11B1 3/4885IDH1 189/4885CNR1 4361/4885

“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.