SCHEMBL1707473

SCHEMBL1707473

COC(=O)c1ccc2c(c1)CC[C@@H]1CC(=O)CC[C@@]21Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.70
AR P10275 3/20 0.70
IL6 P05231 7/20 0.46
CFTR P13569 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 3/20 0.40
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 1/20 0.37
TACR3 P29371 1/20 0.37
KARS1 Q15046 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL12272803 1.00 NR3C1 (0.70) NR3C1ARIL6CFTRALDH1A1
SCHEMBL12494047 1.00 NR3C1 (0.70) NR3C1ARIL6CFTRALDH1A1
SCHEMBL12272220 1.00 NR3C1 (0.70) NR3C1ARIL6CFTRALDH1A1
SCHEMBL12271823 0.94 NR3C1 (0.62) NR3C1ARIL6CFTRMEN1
SCHEMBL12272688 0.94 NR3C1 (0.62) NR3C1ARIL6CFTRMEN1
SCHEMBL12271720 0.94 NR3C1 (0.62) NR3C1ARIL6CFTRMEN1
SCHEMBL12272337 0.94 NR3C1 (0.62) NR3C1ARIL6CFTRMEN1
SCHEMBL13494367 0.89 NR3C1 (0.77) NR3C1ARIL6CFTRALDH1A1
SCHEMBL1571729 0.89 NR3C1 (0.77) NR3C1ARIL6CFTRALDH1A1
SCHEMBL12271690 0.89 NR3C1 (0.77) NR3C1ARIL6CFTRALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901310-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2014-12-02 US disclosed
US-20140316139-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. 2014-10-23 US disclosed
US-20140316139-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. 2014-10-23 US disclosed
US-20140142316-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. (US) 2014-05-22 US disclosed
US-20140142316-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. (US) 2014-05-22 US disclosed
EP-2685821-A1 NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2014-01-22 EP disclosed
US-8445520-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2013-05-21 US disclosed
US-8445520-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2013-05-21 US disclosed
WO-2012125797-A1 NUCLEAR HORMONE RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2012-09-20 WO disclosed
WO-2012125797-A1 NUCLEAR HORMONE RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2012-09-20 WO disclosed
US-7598231-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2009-10-06 US disclosed
US-7598231-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2009-10-06 US disclosed
US-7547714-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease PFIZER, INC. (US) 2009-06-16 US disclosed
US-7547714-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease PFIZER, INC. (US) 2009-06-16 US disclosed
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction PFIZER, INC. (US) 2008-12-18 US disclosed
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction PFIZER, INC. (US) 2008-12-18 US disclosed
WO-2008093227-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2008-08-07 WO disclosed
US-20080188443-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2008-08-07 US disclosed
US-20080188443-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2008-08-07 US disclosed
WO-2008093236-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2008-08-07 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 (4 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-20080188443-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression NR3C1, NR3C2, MC2R NR3C1 1/4885AR 833/4885IL6 694/4885
US-20140142316-A1 Tricyclic Compounds, Compositions, And Methods NR3C2, NR3C1, MC2R NR3C1 2/4885AR 73/4885IL6 2312/4885
US-20140316139-A1 Tricyclic Compounds, Compositions, And Methods NR3C2, NR3C1, MC2R NR3C1 2/4885AR 73/4885IL6 2312/4885
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction NR3C1, NR3C2, MC2R NR3C1 1/4885AR 179/4885IL6 335/4885

“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.