SCHEMBL4579012

SCHEMBL4579012

Cc1ccc(F)cc1OCc1c(-c2ccccc2F)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.73
HTR2C P28335 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 3/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PLA2G7 Q13093 1/20 0.32
FLT3 P36888 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 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
SCHEMBL4143582 0.94 IL6 (0.74) IL6HTR2CL3MBTL1MAPK14FFAR1
SCHEMBL4127299 0.92 IL6 (0.82) IL6HTR2CL3MBTL1FFAR1FFAR4
SCHEMBL4579362 0.91 IL6 (0.71) IL6HTR2CL3MBTL1MAPK14FFAR1
SCHEMBL4135691 0.91 IL6 (0.71) IL6HTR2CL3MBTL1MAPK14FFAR1
SCHEMBL4582037 0.91 IL6 (0.72) IL6HTR2CL3MBTL1MAPK14FFAR1
SCHEMBL4127403 0.90 IL6 (0.69) IL6HTR2CL3MBTL1FFAR1FFAR4
SCHEMBL16556485 0.90 IL6 (0.69) IL6HTR2CL3MBTL1FFAR1FFAR4
SCHEMBL4581165 0.90 IL6 (0.69) IL6HTR2CL3MBTL1FFAR1FFAR4
SCHEMBL4580376 0.90 IL6 (0.69) IL6HTR2CL3MBTL1MAPK14ALDH1A1
SCHEMBL4579573 0.90 IL6 (0.69) IL6HTR2CL3MBTL1FFAR1FFAR4

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 9 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-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-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 (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 3728/4885HTR2C 534/4885L3MBTL1 3805/4885

“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.