SCHEMBL4581319

SCHEMBL4581319

COc1ccccc1NCc1c(-c2ccc(OC(=O)Cc3ccccc3)cc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
FAAH O00519 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 1/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 3/20 0.34
PTPN1 P18031 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 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 0.90 IL6 (0.52) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4139898 0.90 IL6 (0.49) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4582119 0.88 IL6 (0.46) IL6ALDH1A1KDM4ENPSR1MAPT
SCHEMBL4131776 0.88 IL6 (0.48) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4580706 0.87 IL6 (0.48) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4582147 0.86 IL6 (0.51) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4581523 0.85 IL6 (0.47) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4147183 0.85 IL6 (0.50) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4580308 0.85 IL6 (0.46) IL6FAAHDRD3ALDH1A1KDM4E
SCHEMBL4580605 0.84 IL6 (0.46) IL6ALDH1A1KDM4ENPSR1MAPT

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-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
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.