SCHEMBL251137

SCHEMBL251137

CCCCn1cc(I)cc(C(=O)OC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
TLR8 Q9NR97 2/20 0.42
NR4A2 P43354 1/20 0.39
TYR P14679 1/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2C19 P33261 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL218381 0.84 CNR2 (0.43) CNR1CNR2TYRCYP1A2CYP2C19
SCHEMBL2736517 0.77 BRD4 (0.51) BRD4NR4A2ALDH1A1CA12CA1
SCHEMBL249640 0.75 CNR2 (0.61) BRD4CNR1CNR2ALDH1A1KMT2A
SCHEMBL13306961 0.74 P2RX7 (0.41) ALDH1A1
SCHEMBL2736729 0.74 CNR2 (0.58) CNR1CNR2ALDH1A1TDP1PDE10A
SCHEMBL11896624 0.73 KDM4E (0.54) BRD4CNR1CNR2TLR8NR4A2
SCHEMBL30612377 0.72 KDM4E (0.53) BRD4CNR1CNR2TLR8CYP1A2
SCHEMBL8688601 0.72 KDM4E (0.38) BRD4CNR2TLR8NR4A2TYR
SCHEMBL30910244 0.69 CNR1 (0.49) BRD4CNR1CNR2TLR8NR4A2
SCHEMBL4683279 0.69 TLR8 (0.50) BRD4CNR1CNR2TLR8NR4A2

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 16 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
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
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 BRD4 152/4885CNR1 2/4885CNR2 1/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 BRD4 389/4885CNR1 1/4885CNR2 2/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R BRD4 115/4885CNR1 2/4885CNR2 1/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 BRD4 446/4885CNR1 1/4885CNR2 2/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R BRD4 137/4885CNR1 1/4885CNR2 2/4885

“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.