SCHEMBL3425523

SCHEMBL3425523

COc1cccc2c1C(C)(CC(O)(Cc1ccnc3ccccc13)C(C)(C)C)CCC2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.61
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
PDE4A P27815 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PDE10A Q9Y233 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL3424816 0.92 NR3C1 (0.74) NR3C1PGRNR3C2
SCHEMBL13160400 0.83 NR3C1 (0.45) NR3C1PDE4APGRNR3C2PDE10A
SCHEMBL3427956 0.79 NR3C1 (0.76) NR3C1
SCHEMBL3424720 0.79 NR3C1 (0.73) NR3C1PGRNR3C2
SCHEMBL3424925 0.79 NR3C1 (0.75) NR3C1PGRNR3C2PDE10A
SCHEMBL13160268 0.75 NR3C1 (0.55) NR3C1PDE4APGRNR3C2PDE10A
SCHEMBL13160298 0.74 NR3C1 (0.67) NR3C1DRD2DRD3PDE4APGR
SCHEMBL3426206 0.74 NR3C1 (0.77) NR3C1
SCHEMBL3426707 0.74 NR3C1 (0.68) NR3C1PDE4APGRNR3C2
SCHEMBL3427757 0.73 NR3C1 (0.70) NR3C1PGRNR3C2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP claimed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US claimed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 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-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885DRD2 4171/4885DRD3 3056/4885

“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.