SCHEMBL4582147

SCHEMBL4582147

COc1ccccc1NCc1c(-c2ccc(OC(=O)NC(C)C)cc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.51
FAAH O00519 3/20 0.38
DRD3 P35462 3/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
APAF1 O14727 1/20 0.35
RECQL P46063 1/20 0.35
ACHE P22303 1/20 0.35
DRD2 P14416 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4582096 0.92 IL6 (0.52) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4131776 0.88 IL6 (0.48) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4580706 0.87 IL6 (0.48) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4139898 0.87 IL6 (0.49) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4581319 0.86 IL6 (0.49) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4579924 0.86 IL6 (0.46) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4581523 0.85 IL6 (0.47) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4147183 0.85 IL6 (0.50) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4580308 0.85 IL6 (0.46) IL6FAAHDRD3KDM4EMAPT
SCHEMBL4582119 0.85 IL6 (0.46) IL6KDM4EMAPTLMNASMN1; SMN2

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 7 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

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.