SCHEMBL3117342

SCHEMBL3117342

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.76
HTR2C P28335 1/20 0.33
PDE7A Q13946 1/20 0.33
FGFR4 P22455 1/20 0.32
BACE1 P56817 1/20 0.32
CHEK1 O14757 3/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
KIT P10721 1/20 0.31
PIM1 P11309 1/20 0.31
FLT3 P36888 1/20 0.31
CDK7 P50613 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIM3 Q86V86 1/20 0.31
HASPIN Q8TF76 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PLA2G7 Q13093 1/20 0.31
WEE1 P30291 1/20 0.30

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
SCHEMBL4134613 0.95 IL6 (0.84) IL6HTR2CFFAR1FFAR4GRIN1
SCHEMBL4135144 0.94 IL6 (0.83) IL6HTR2CFGFR4BACE1CHEK1
SCHEMBL4582012 0.91 IL6 (0.79) IL6HTR2CFFAR1FFAR4GRIN1
SCHEMBL4581163 0.91 IL6 (0.82) IL6HTR2CFFAR1FFAR4GRIN1
SCHEMBL1917741 0.91 IL6 (0.89) IL6HTR2CCHEK1FFAR1FFAR4
SCHEMBL4127299 0.91 IL6 (0.82) IL6HTR2CFFAR1FFAR4
SCHEMBL4129581 0.90 IL6 (0.76) IL6HTR2CFFAR1FFAR4GRIN1
SCHEMBL4580821 0.90 IL6 (0.76) IL6HTR2CFFAR1FFAR4GRIN1
SCHEMBL4581924 0.90 IL6 (0.75) IL6GRIN1GRIN2B
SCHEMBL4579844 0.90 IL6 (0.90) IL6HTR2CBACE1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP claimed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US claimed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP claimed
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-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
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-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-11-14 US disclosed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 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
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 EP disclosed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 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
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
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 (3 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-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY NR3C2, NR3C1, NR5A1 IL6 1624/4885HTR2C 2447/4885PDE7A 1313/4885
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 IL6 3798/4885HTR2C 505/4885PDE7A 1697/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885HTR2C 534/4885PDE7A 1284/4885

“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.