SCHEMBL2736741

SCHEMBL2736741

CCCCn1c2c(cc(C(=O)N[C@H](CO)c3ccccc3)c1=O)[C@@H]1CC[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.42
CNR2 P34972 10/20 0.42
MAPK1 P28482 4/20 0.42
TACR3 P29371 2/20 0.40
RIPK1 Q13546 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL2736742 0.92 CNR2 (0.41) CNR1CNR2TACR3HTR3EHTR3B
SCHEMBL2736739 0.89 POLB (0.47) CNR1CNR2
SCHEMBL2736735 0.81 CNR2 (0.63) CNR1CNR2
SCHEMBL2736737 0.79 CNR2 (0.61) CNR1CNR2HTR3EHTR3BHTR3A
SCHEMBL2736736 0.78 CNR2 (0.65) CNR1CNR2MAPK1TACR3
SCHEMBL2736753 0.77 CNR2 (0.70) CNR1CNR2
SCHEMBL2736734 0.77 CNR2 (0.56) CNR1CNR2MAPK1TACR3
SCHEMBL2736748 0.77 CNR2 (0.50) CNR1CNR2MAPK1TACR3
SCHEMBL13531289 0.77 CNR2 (0.71) CNR1CNR2
SCHEMBL13531292 0.77 CNR2 (0.71) CNR1CNR2

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 11 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
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US 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-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US 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 (3 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 CNR1 2/4885CNR2 1/4885MAPK1 1638/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CNR1 2/4885CNR2 1/4885MAPK1 1238/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885MAPK1 2576/4885

“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.