SCHEMBL4582397

SCHEMBL4582397

CCCNC(=O)Oc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)N(C)C(=O)C(C)(C)N3)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.72
FAAH O00519 5/20 0.37
DRD3 P35462 5/20 0.37
DRD2 P14416 2/20 0.34
ACHE P22303 2/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL4581521 0.92 IL6 (0.71) IL6FAAHDRD3DRD2
SCHEMBL4141576 0.91 IL6 (0.81) IL6
SCHEMBL4581164 0.90 IL6 (0.69) IL6FAAHDRD3ACHE
SCHEMBL4581324 0.90 IL6 (0.65) IL6FAAHDRD3DRD2
SCHEMBL4580327 0.89 IL6 (0.77) IL6FAAHDRD3ACHE
SCHEMBL4151869 0.89 IL6 (0.75) IL6
SCHEMBL4580655 0.89 IL6 (0.77) IL6ACHE
SCHEMBL4581073 0.89 IL6 (0.78) IL6
SCHEMBL4580364 0.88 IL6 (0.70) IL6FAAHDRD3ACHE
SCHEMBL4580547 0.88 IL6 (0.70) IL6ACHE

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 8 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
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 3728/4885FAAH 3639/4885DRD3 291/4885

“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.