SCHEMBL4582772

SCHEMBL4582772

COc1cc(OC(=O)c2ccc(C)o2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.70
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
BTK Q06187 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GRIN1 Q05586 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
SCHEMBL4582381 0.94 IL6 (0.69) IL6FFAR1FFAR4BTKALDH1A1
SCHEMBL4582244 0.90 IL6 (0.70) IL6ALDH1A1GLAMAPTNPSR1
SCHEMBL4131851 0.89 IL6 (0.73) IL6FFAR1FFAR4ALDH1A1MAPT
SCHEMBL4581594 0.89 IL6 (0.73) IL6ALDH1A1ESR1MAPTLMNA
SCHEMBL4581224 0.89 IL6 (0.72) IL6ALDH1A1ESR1MAPTNPSR1
SCHEMBL4135792 0.89 IL6 (0.72) IL6ALDH1A1ESR1MAPTLMNA
SCHEMBL4148280 0.89 IL6 (0.74) IL6BTKALDH1A1MAPTLMNA
SCHEMBL4581073 0.88 IL6 (0.78) IL6FFAR1FFAR4ALDH1A1GRIN1
SCHEMBL4141576 0.88 IL6 (0.81) IL6FFAR1FFAR4GRIN1GRIN2B
SCHEMBL4580854 0.88 IL6 (0.71) IL6ALDH1A1ESR1MAPTLMNA

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 3728/4885FFAR1 140/4885FFAR4 252/4885

“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.