SCHEMBL1136816

SCHEMBL1136816

CC=CC=CC=CCC=CC=CC=CC(C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.41
CNR1 P21554 6/20 0.41
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
OXER1 Q8TDS5 2/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
F13A1 P00488 1/20 0.31
THRB P10828 1/20 0.31
PTGS1 P23219 1/20 0.31
FASN P49327 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ALOX5 P09917 1/20 0.31
TRPA1 O75762 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL1136815 1.00 CNR2 (0.41) CNR2CNR1PPARAPPARGPPARD
SCHEMBL1136901 0.84 CNR2 (0.41) CNR2CNR1PPARAPPARGPPARD
SCHEMBL1136900 0.84 CNR2 (0.41) CNR2CNR1PPARAPPARGPPARD
SCHEMBL8578219 0.71
SCHEMBL3760042 0.71 GABRP (0.32) ALDH1A1
SCHEMBL7164919 0.71 GABRP (0.32) ALDH1A1
SCHEMBL18300403 0.71 ALDH1A1 (0.42) CNR2CNR1ALDH1A1TRPA1TRPV1
SCHEMBL18300402 0.71 ALDH1A1 (0.42) CNR2CNR1ALDH1A1TRPA1TRPV1
SCHEMBL6200895 0.68 ALDH1A1 (0.37) CNR2CNR1PPARAPPARGPPARD
SCHEMBL6200897 0.68 ALDH1A1 (0.37) CNR2CNR1PPARAPPARGPPARD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013004-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
EP-1836176-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEROF BRISTOL MYERS SQUIBB CO (US) 2011-03-02 EP disclosed
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100113532-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-7642273-B2 Bridged tricyclic (e.g 9,10-ethanoanthracene) derivatives of (2-carbonylamino)thiazol-5-yloxoacetamides; treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF- kappa B activity including obesity, diabetes, inflammatory and immune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
EP-1836176-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEROF Brystol-Myers Squibb Company (US) 2007-09-26 EP disclosed
US-20070179189-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
WO-2006076702-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ĸB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US 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-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 CNR2 1887/4885CNR1 478/4885PPARA 843/4885
US-20100113532-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB2 CNR2 2145/4885CNR1 725/4885PPARA 745/4885
US-20070179189-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKBIA, NFKB2 CNR2 2145/4885CNR1 725/4885PPARA 745/4885

“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.