SCHEMBL4580781

SCHEMBL4580781

COc1cc(C#N)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.74
GRM5 P41594 3/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAPK14 Q16539 2/20 0.34
HTR2C P28335 1/20 0.34
AR P10275 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL4579352 0.94 IL6 (0.81) IL6GRM5GRIN1GRIN2BMAPK14
SCHEMBL4134613 0.93 IL6 (0.84) IL6GRIN1GRIN2BHTR2C
SCHEMBL4582012 0.90 IL6 (0.79) IL6GRIN1GRIN2BHTR2C
SCHEMBL4581163 0.89 IL6 (0.82) IL6GRIN1GRIN2BHTR2C
SCHEMBL1917741 0.89 IL6 (0.89) IL6GRIN1GRIN2BHTR2C
SCHEMBL4127299 0.89 IL6 (0.82) IL6HTR2C
SCHEMBL4580821 0.88 IL6 (0.76) IL6GRM5GRIN1GRIN2BHTR2C
SCHEMBL3117342 0.88 IL6 (0.76) IL6GRIN1GRIN2BHTR2C
SCHEMBL4129581 0.88 IL6 (0.76) IL6GRM5GRIN1GRIN2BHTR2C
SCHEMBL4581924 0.88 IL6 (0.75) IL6GRIN1GRIN2BMAPK14

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-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 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 (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-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885GRM5 43/4885GRIN1 66/4885

“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.