SCHEMBL4478853

SCHEMBL4478853

COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCN(c2ccc(C(C)=O)cc2)CC1)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.67
NR3C2 P08235 13/20 0.61
PGR P06401 3/20 0.53
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4467071 0.92 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL4467436 0.88 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL4491209 0.85 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL4483501 0.83 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4471865 0.83 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4477233 0.82 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL4491262 0.82 NR3C1 (0.80) NR3C1NR3C2PGR
SCHEMBL4488562 0.81 NR3C1 (0.76) NR3C1NR3C2PGRCYP3A4
SCHEMBL4477600 0.81 NR3C1 (0.76) NR3C1NR3C2PGR
SCHEMBL4472839 0.81 NR3C1 (0.69) NR3C1NR3C2PGR

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
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 198/4885

“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.