SCHEMBL4591114

SCHEMBL4591114

COc1ccc(F)cc1-c1ccc2c(c1COC(=O)c1ccc(C)cc1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.65
NPC1 O15118 2/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
RAB9A P51151 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MAPK1 P28482 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 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
SCHEMBL4580647 0.93 IL6 (0.63) IL6RXFP1LMNAHPGDTSHR
SCHEMBL4139194 0.92 IL6 (0.64) IL6MAPK1ALDH1A1
SCHEMBL4581423 0.91 IL6 (0.63) IL6APOBEC3AAPOBEC3GRXFP1TSHR
SCHEMBL4140442 0.90 IL6 (0.53) IL6NPC1APOBEC3AAPOBEC3GMAPK1
SCHEMBL4139610 0.87 IL6 (0.51) IL6NPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL4580531 0.87 IL6 (0.62) IL6RXFP1LMNAALDH1A1SMN1; SMN2
SCHEMBL1917227 0.87 IL6 (0.57) IL6NPC1APOBEC3AAPOBEC3GRAB9A
SCHEMBL4582014 0.87 IL6 (0.66) IL6LMNAALDH1A1SMN1; SMN2
SCHEMBL4581415 0.86 IL6 (0.72) IL6APOBEC3AAPOBEC3GMAPK1LMNA
SCHEMBL4581762 0.86 IL6 (0.63) IL6CCNT1CDK9LMNAALDH1A1

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 18 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-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
US-20080039433-A1 Stabilized Tetracycline Compositions SERENEX, INC. 2008-02-14 US disclosed
WO-2007147133-A1 STABILIZED TETRACYCLINE COMPOSITIONS SERENEX, INC. (US) 2007-12-21 WO disclosed
EP-1299351-A4 NOVEL ARYL, ALKENYL, AND ALKYNL 4-DEDIMETHYLAMINOTETRACYCLINE DERIVATIVES COLLAGENEX PHARM INC (US) 2005-06-15 EP disclosed
EP-1531830-A1 METHOD FOR REDUCING C-RECTIVE PROTEIN LEVELS WITH NON-ANTIBACTERIAL TETRACYCLINE FORMULATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-05-25 EP disclosed
WO-2004006938-A1 METHOD FOR REDUCING C-RECTIVE PROTEIN LEVELS WITH NON-ANTIBACTERIAL TETRACYCLINE FORMULATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-01-22 WO disclosed
EP-1299351-A1 NOVEL ARYL, ALKENYL, AND ALKYNL 4-DEDIMETHYLAMINOTETRACYCLINE DERIVATIVES Collagenex Pharmaceuticals, Inc. (US) 2003-04-09 EP disclosed
WO-2001087823-A1 NOVEL ARYL, ALKENYL, AND ALKYNL 4-DEDIMETHYLAMINOTETRACYCLINE DERIVATIVES COLLAGENEX PHARMACEUTICALS, INC. (US) 2001-11-22 WO 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 (3 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-20080039433-A1 Stabilized Tetracycline Compositions MALT1, TREH, TET1 IL6 49/4885NPC1 2645/4885APOBEC3A 2943/4885
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 IL6 3798/4885NPC1 4406/4885APOBEC3A 4877/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885NPC1 4638/4885APOBEC3A 4878/4885

“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.