SCHEMBL214474

SCHEMBL214474

COc1cccn(C(Br)Cc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.41
OPRM1 P35372 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.36
HSD11B1 P28845 1/20 0.36
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPK14 Q16539 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL217113 0.78 EGLN1 (0.39) TDP1ALDH1A1GAAMAPT
SCHEMBL18838233 0.74 LDHA (0.41) TDP1CYP2C19ALDH1A1MAPTHCRTR1
SCHEMBL1106475 0.73 HDAC4 (0.41) OPRK1OPRM1TDP1LMNAOPRD1
SCHEMBL14706627 0.72 OPRK1 (0.40) OPRK1OPRM1LMNAOPRD1ALDH1A1
SCHEMBL14324139 0.71 LMNA (0.57) TDP1LMNAHSD11B1ALDH1A1MAPT
SCHEMBL13544361 0.70 KMT2A (0.46) OPRK1OPRM1ALDH1A1MAPT
SCHEMBL19892550 0.69 OPRK1 (0.38) OPRK1OPRM1LMNAOPRD1ALDH1A1
SCHEMBL14488656 0.66 TDP1 (0.47) TDP1
SCHEMBL10059740 0.65 GAA (0.46) LMNAHSD11B1ALDH1A1GAA
SCHEMBL1156104 0.63 MAPT (0.50) CYP19A1LMNAALDH1A1GAAMAPT

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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 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 (5 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R OPRK1 42/4885OPRM1 60/4885TDP1 4271/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 OPRK1 7/4885OPRM1 21/4885TDP1 4762/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R OPRK1 22/4885OPRM1 27/4885TDP1 3664/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 OPRK1 9/4885OPRM1 16/4885TDP1 4657/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R OPRK1 10/4885OPRM1 12/4885TDP1 3425/4885

“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.