SCHEMBL216666

SCHEMBL216666

CCCCn1c(C)c(C)cc(NC(=O)c2ccc(F)cc2)c1=O

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.83
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR1 P21554 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.45
KCNMA1 Q12791 1/20 0.44
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 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
SCHEMBL2736523 0.81 MAPT (0.54) CNR2ALDH1A1KMT2AMAPTTHRB
SCHEMBL2737036 0.81 CNR2 (0.69) CNR2ALDH1A1KMT2ACNR1
SCHEMBL2736595 0.80 CNR2 (0.69) CNR2ALDH1A1KMT2ACNR1
SCHEMBL2737025 0.80 CNR2 (0.72) CNR2ALDH1A1KMT2ACNR1
SCHEMBL2737035 0.79 CNR2 (0.66) CNR2ALDH1A1KMT2ACNR1
SCHEMBL2737046 0.79 CNR2 (0.77) CNR2ALDH1A1KMT2ACNR1
SCHEMBL2737040 0.79 CNR2 (0.80) CNR2ALDH1A1KMT2ACNR1MAPT
SCHEMBL2737034 0.78 CNR2 (0.71) CNR2KMT2ACNR1MAPTPOLB
SCHEMBL2737029 0.78 CNR2 (0.78) CNR2ALDH1A1KMT2ACNR1
SCHEMBL2737045 0.78 CNR2 (0.83) CNR2ALDH1A1KMT2ACNR1MAPT

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
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
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 1/4885ALDH1A1 3078/4885KMT2A 2963/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885ALDH1A1 4118/4885KMT2A 2637/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R CNR2 1/4885ALDH1A1 2526/4885KMT2A 2117/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885ALDH1A1 3580/4885KMT2A 2819/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R CNR2 2/4885ALDH1A1 3084/4885KMT2A 1553/4885

“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.