SCHEMBL4581813

SCHEMBL4581813

COc1ccc(F)cc1-c1ccc2c(c1COC(=O)c1ccccc1C)NC(=O)C(C)(C)N2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.46
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CREBBP Q92793 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NR3C1 P04150 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PGR P06401 1/20 0.32
ABL1 P00519 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL4140234 0.89 IL6 (0.44) IL6LMNAKDM4ESMN1; SMN2CREBBP
SCHEMBL4147347 0.86 IL6 (0.45) IL6LMNACREBBPADRB2ADRB1
SCHEMBL4582029 0.86 IL6 (0.56) IL6CREBBPNR3C1PGRS1PR1
SCHEMBL4581888 0.86 IL6 (0.43) IL6KDM4EHTTCREBBPADRB2
SCHEMBL4579668 0.84 IL6 (0.43) IL6LMNAKDM4ESMN1; SMN2CREBBP
SCHEMBL4582014 0.84 IL6 (0.66) IL6LMNAKDM4EHTTPAX8
SCHEMBL4135970 0.84 IL6 (0.43) IL6LMNACREBBPALDH1A1
SCHEMBL4579252 0.84 IL6 (0.42) IL6LMNAKDM4ESMN1; SMN2CREBBP
SCHEMBL4581463 0.83 IL6 (0.39) IL6LMNAKDM4EHTTPAX8
SCHEMBL4579741 0.82 IL6 (0.41) IL6LMNAKDM4ESMN1; SMN2ALDH1A1

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 11 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-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
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
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 (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 3798/4885LMNA 4593/4885KDM4E 2114/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885LMNA 4688/4885KDM4E 2332/4885

“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.