SCHEMBL216884

SCHEMBL216884

CCCCn1c(C)c(C)cc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.71
CNR1 P21554 2/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.44
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL2736525 0.84 NPC1 (0.61) CNR2NPC1RAB9AFAAHMGLL
SCHEMBL215639 0.81 CNR2 (0.60) CNR2CNR1NPC1RAB9A
SCHEMBL13531299 0.77 CNR2 (0.77) CNR2CNR1NPC1ALDH1A1KMT2A
SCHEMBL2760207 0.76 CNR2 (0.68) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2737040 0.76 CNR2 (0.80) CNR2CNR1NPC1RAB9AALDH1A1
SCHEMBL218313 0.76 CNR2 (0.67) CNR2CNR1NPC1RAB9AALDH1A1
SCHEMBL2737042 0.74 CNR2 (0.77) CNR2CNR1ALDH1A1KMT2A
SCHEMBL2737046 0.74 CNR2 (0.77) CNR2CNR1ALDH1A1KMT2A
SCHEMBL20556518 0.74 NPC1 (0.64) NPC1RAB9AFAAHMGLLSMN1; SMN2
SCHEMBL8642840 0.73 NPC1 (0.50) NPC1RAB9AFAAHMGLLSMN1; SMN2

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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
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-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
CN-100575345-C 2 type Cannabined receptors are had in conjunction with active Pyridione derivatives SHIONOGI & CO 2009-12-30 CN 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-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
CN-1492856-A Pyridone derivative having affinity for cannabinoid 2-type receptor ��Ұ����ҩ��ʽ���� 2004-04-28 CN 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 1/4885CNR1 2/4885NPC1 4500/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885NPC1 1799/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R CNR2 1/4885CNR1 2/4885NPC1 4554/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885NPC1 2141/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R CNR2 2/4885CNR1 1/4885NPC1 3732/4885

“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.