SCHEMBL215283

SCHEMBL215283

CCOC(=O)C(C)=C(C)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.56
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
NAMPT P43490 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
RIPK1 Q13546 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL215282 1.00 PPID (0.56) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6
SCHEMBL24635021 0.84 KMT2A (0.53) SMN1; SMN2CYP2C9CYP2C19CYP1A2KMT2A
SCHEMBL10893701 0.82 PPID (0.51) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6
SCHEMBL11169677 0.82 PPID (0.60) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6
SCHEMBL7491261 0.81 ALDH1A1 (0.56) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6
SCHEMBL6590116 0.80 CYP2C9 (0.57) MAPTSMN1; SMN2CYP2C9CYP2D6CYP2C19
SCHEMBL6590122 0.80 CYP2C9 (0.57) MAPTSMN1; SMN2CYP2C9CYP2D6CYP2C19
SCHEMBL28633508 0.79 PPID (0.57) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6
Benzene SCHEMBL8878788 0.78 PPID (0.64) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6
SCHEMBL423344 0.78 PPID (0.64) PPIDMAPTSMN1; SMN2CYP2C9CYP2D6

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 PPID 3768/4885MAPT 4074/4885SMN1; SMN2 4652/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 PPID 3127/4885MAPT 3869/4885SMN1; SMN2 3763/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R PPID 4130/4885MAPT 4248/4885SMN1; SMN2 4681/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 PPID 1342/4885MAPT 3393/4885SMN1; SMN2 3366/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R PPID 4149/4885MAPT 4340/4885SMN1; SMN2 4647/4885

“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.