SCHEMBL4135982

SCHEMBL4135982

CN1C(=O)C(C)(C)Nc2ccc(-c3cc(Cl)ccc3O)c(CO)c21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.44
LRRK2 Q5S007 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
IDO1 P14902 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
SCHEMBL4132828 0.86 IL6 (0.59) IL6LRRK2CYP2C9ALDH1A1LMNA
SCHEMBL4140319 0.77 IL6 (0.55) IL6LRRK2ALDH1A1LMNAPSEN1
SCHEMBL1919243 0.74 IL6 (0.42) IL6ALDH1A1
SCHEMBL14015530 0.73 PGR (0.36) LRRK2MEN1KMT2ACYP2C9CYP1A2
SCHEMBL4580973 0.72 IL6 (0.55) IL6MEN1KMT2AALDH1A1PSEN1
SCHEMBL27734835 0.72 LRRK2 (0.31) LRRK2
SCHEMBL4578778 0.72 IL6 (0.64) IL6LRRK2ALDH1A1PSEN1PSEN2
SCHEMBL1920187 0.72 IL6 (0.57) IL6MEN1KMT2AALDH1A1
SCHEMBL4128220 0.71 IL6 (0.59) IL6CYP2C9ALDH1A1
SCHEMBL4582972 0.70 IL6 (0.53) IL6MEN1KMT2ACYP2C9CYP1A2

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 13 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-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-11-14 US disclosed
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-11-14 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-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
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 (2 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-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 IL6 3798/4885LRRK2 2904/4885MEN1 3282/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885LRRK2 2855/4885MEN1 3733/4885

“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.