SCHEMBL2395976

SCHEMBL2395976

COc1cc(F)ccc1-c1c(OC)cc2c(c1COC(=O)c1cccs1)C(C)=CC(C)(C)N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.41
NR3C1 P04150 8/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ESR1 P03372 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5034716 0.94 PGR (0.41) PGRNR3C1GRIN1GRIN2BESR1
SCHEMBL450303 0.92 NR3C1 (0.43) PGRNR3C1GRIN1GRIN2BESR1
SCHEMBL2393207 0.87 PGR (0.42) PGRNR3C1ESR1ARESR2
SCHEMBL2395886 0.86 NR3C1 (0.41) PGRNR3C1ESR1ARESR2
SCHEMBL2392509 0.85 GRIN1 (0.40) PGRNR3C1GRIN1GRIN2BESR1
SCHEMBL449776 0.84 NR3C1 (0.45) PGRNR3C1ARL3MBTL1
SCHEMBL5032313 0.83 PGR (0.41) PGRNR3C1ESR1ARESR2
SCHEMBL2397722 0.82 PGR (0.41) PGRNR3C1ESR1ARESR2
SCHEMBL2392004 0.81 NR3C1 (0.40) PGRNR3C1ESR1ARESR2
SCHEMBL2396188 0.81 NR3C1 (0.41) PGRNR3C1ESR1ARESR2

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
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP 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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 PGR 201/4885NR3C1 1/4885GRIN1 80/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 PGR 257/4885NR3C1 1/4885GRIN1 19/4885

“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.