SCHEMBL2736894

SCHEMBL2736894

CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c(=O)n(CCCC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.53
LIPG Q9Y5X9 1/20 0.48
CNR2 P34972 5/20 0.48
CNR1 P21554 2/20 0.48
PDE10A Q9Y233 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2736820 0.93 CNR1 (0.50) LIPGCNR2CNR1PDE10ARXFP1
SCHEMBL2736892 0.90 CNR2 (0.54) CNR2CNR1PDE10ATP53
SCHEMBL2736808 0.90 CNR1 (0.48) LIPGCNR2CNR1PDE10ARXFP1
SCHEMBL2736854 0.89 CNR1 (0.48) LIPGCNR2CNR1PDE10ATP53
SCHEMBL2736810 0.88 CNR2 (0.56) CNR2CNR1PDE10ARXFP1POLB
SCHEMBL2736879 0.87 NPC1 (0.48) LIPGCNR2CNR1PDE10ARXFP1
SCHEMBL2736797 0.87 CNR1 (0.45) LIPGCNR2CNR1PDE10ARXFP1
SCHEMBL2736829 0.84 PDE10A (0.49) LIPGCNR2CNR1PDE10ATP53
SCHEMBL2736849 0.83 CNR1 (0.48) LIPGCNR2CNR1PDE10ATP53
SCHEMBL2736864 0.83 POLB (0.46) LIPGCNR2CNR1PDE10ARXFP1

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 FAAH 184/4885LIPG 3937/4885CNR2 1/4885

“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.