SCHEMBL216609

SCHEMBL216609

CCCCn1cc(C)cc(Oc2nc3ccccc3o2)c1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 1.00
LTA4H P09960 8/20 0.39
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MIF P14174 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2736508 0.83 CNR2 (0.71) CNR2LTA4HSLC6A4KCNH2NPC1
SCHEMBL13991165 0.81 CNR2 (1.00) CNR2LTA4HSLC6A4KCNH2NPC1
SCHEMBL2736501 0.78 CNR2 (0.74) CNR2LTA4HSLC6A4KCNH2NPC1
SCHEMBL216643 0.77 CNR2 (1.00) CNR2LTA4HKCNH2NPC1RAB9A
SCHEMBL218404 0.76 CNR2 (0.77) CNR2LTA4HKCNH2NPC1RAB9A
SCHEMBL2736498 0.74 CNR2 (0.73) CNR2LTA4HSLC6A4KCNH2NPC1
SCHEMBL217292 0.72 CNR2 (1.00) CNR2ALDH1A1
SCHEMBL216005 0.71 CNR2 (0.58) CNR2LTA4HSLC6A4KCNH2NPC1
SCHEMBL217818 0.71 CNR2 (0.53) CNR2ALDH1A1LMNAKMT2A
SCHEMBL216490 0.67 CNR2 (0.69) CNR2LTA4HKCNH2

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 12 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
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 CNR2 1/4885LTA4H 2119/4885SLC6A4 2528/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885LTA4H 308/4885SLC6A4 1226/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R CNR2 1/4885LTA4H 2011/4885SLC6A4 1824/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885LTA4H 212/4885SLC6A4 1020/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R CNR2 2/4885LTA4H 1519/4885SLC6A4 1285/4885

“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.