SCHEMBL4581163

SCHEMBL4581163

COc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)N(C)C(=O)C(C)(C)N3)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.82
MDM2 Q00987 1/20 0.37
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
PLA2G7 Q13093 1/20 0.35
SYK P43405 1/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR7 P34969 1/20 0.33
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4134613 0.96 IL6 (0.84) IL6GRIN1GRIN2BPLA2G7HTR2C
SCHEMBL20344621 0.94 IL6 (0.83) IL6MDM2PLA2G7HTR2CMEN1
SCHEMBL4581342 0.94 IL6 (0.84) IL6MDM2GRIN1GRIN2BPLA2G7
SCHEMBL1918700 0.93 IL6 (0.80) IL6MDM2GRIN1GRIN2BPLA2G7
SCHEMBL20344741 0.93 IL6 (0.81) IL6PLA2G7HTR2C
SCHEMBL4148322 0.93 IL6 (0.77) IL6PLA2G7HTR2C
SCHEMBL20344632 0.93 IL6 (0.81) IL6MDM2PLA2G7HTR2C
SCHEMBL4582012 0.92 IL6 (0.79) IL6GRIN1GRIN2BPLA2G7HTR2C
SCHEMBL18573561 0.92 IL6 (0.81) IL6GRIN1GRIN2BPLA2G7SYK
SCHEMBL20344687 0.92 IL6 (0.88) IL6MDM2GRIN1GRIN2BPLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435379-B2 [4-(1,3,3-trimethyl-2-OXO-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or salt thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2019-10-08 US disclosed
US-10435379-B2 [4-(1,3,3-trimethyl-2-OXO-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or salt thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2019-10-08 US disclosed
US-20190106393-A1 [4-(1,3,3-TRIMETHYL-2-OXO-3,4-DIHYDRO-1H-QUINOXALIN-7-YL)PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2019-04-11 US disclosed
US-20190106393-A1 [4-(1,3,3-TRIMETHYL-2-OXO-3,4-DIHYDRO-1H-QUINOXALIN-7-YL)PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2019-04-11 US disclosed
US-10189796-B2 [4-(1,3,3-trimethyl-2-oxo-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or salt thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2019-01-29 US disclosed
US-10189796-B2 [4-(1,3,3-trimethyl-2-oxo-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or salt thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2019-01-29 US disclosed
US-20180244633-A1 [4-(1,3,3-TRIMETHYL-2-OXO-3,4-DIHYDRO-1H-QUINOXALIN-7-YL)PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2018-08-30 US disclosed
EP-3342768-A1 [4-(1, 3, 3-TRIMETHYL-2-OXO-3, 4-DIHYDRO-1H-QUINOXALIN-7-YL) PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF Santen Pharmaceutical Co., Ltd. (JP) 2018-07-04 EP disclosed
EP-3342768-A1 [4-(1, 3, 3-TRIMETHYL-2-OXO-3, 4-DIHYDRO-1H-QUINOXALIN-7-YL) PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF Santen Pharmaceutical Co., Ltd. (JP) 2018-07-04 EP disclosed
WO-2017034006-A1 [4-(1, 3, 3-TRIMETHYL-2-OXO-3, 4-DIHYDRO-1H-QUINOXALIN-7-YL) PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF 参天製薬株式会社 2017-03-02 WO 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-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 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-2151436-B1 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) 2013-04-24 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
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 (5 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-10189796-B2 [4-(1,3,3-trimethyl-2-oxo-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or salt thereof NR3C2, NR3C1, GRK4 IL6 1589/4885MDM2 4453/4885GRIN1 94/4885
US-10435379-B2 [4-(1,3,3-trimethyl-2-OXO-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or salt thereof NR3C2, NR3C1, MC2R IL6 1316/4885MDM2 2615/4885GRIN1 128/4885
US-20190106393-A1 [4-(1,3,3-TRIMETHYL-2-OXO-3,4-DIHYDRO-1H-QUINOXALIN-7-YL)PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF NR3C2, NR3C1, MC2R IL6 1316/4885MDM2 2615/4885GRIN1 128/4885
US-20180244633-A1 [4-(1,3,3-TRIMETHYL-2-OXO-3,4-DIHYDRO-1H-QUINOXALIN-7-YL)PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF NR3C2, NR3C1, GRK4 IL6 1589/4885MDM2 4453/4885GRIN1 94/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885MDM2 3959/4885GRIN1 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.