SCHEMBL837795

SCHEMBL837795

CC(c1ccc(F)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.43
CNR1 P21554 9/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAOB P27338 1/20 0.34
NR3C2 P08235 1/20 0.34
MDM2 Q00987 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
CYP1A2 P05177 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL838307 0.90 CNR1 (0.36) CNR2CNR1MAOBCYP1A2AR
SCHEMBL480147 0.89 CNR2 (0.35) CNR2CNR1CYP1A2AR
SCHEMBL480180 0.88 BIRC5 (0.36) CNR2CNR1CYP1A2AR
SCHEMBL480089 0.86 CNR2 (0.43) CNR2CNR1MAOB
SCHEMBL836906 0.86 MET (0.39) CNR2CNR1MDM2AR
SCHEMBL1416348 0.83 CNR2 (0.34) CNR2CNR1AKR1C3AKR1C2CYP1A2
SCHEMBL754552 0.82 TRPM8 (0.41) CNR2CNR1TRPM8AKR1C3AKR1C2
SCHEMBL480118 0.82 TRPM8 (0.41) CNR2CNR1TRPM8AKR1C3AKR1C2
SCHEMBL480045 0.82 AKR1C3 (0.39) CNR2CNR1TRPM8AKR1C3AKR1C2
SCHEMBL753355 0.82 AKR1C3 (0.39) CNR2CNR1TRPM8AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US claimed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US claimed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CNR2 323/4885CNR1 154/4885TRPM8 2694/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CNR2 323/4885CNR1 154/4885TRPM8 2694/4885

“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.