SCHEMBL2736792

SCHEMBL2736792

CCCCn1cc(-c2cc3ccccc3s2)cc(C(=O)NCc2ccc(F)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
CNR1 P21554 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 1/20 0.40
TRPA1 O75762 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
SCHEMBL2736790 0.93 CNR2 (0.52) CNR2CNR1PDE10APOLBLMNA
SCHEMBL2736791 0.84 CNR2 (0.49) CNR2CNR1SMN1; SMN2HTTKMT2A
SCHEMBL2736858 0.84 ALDH1A1 (0.48) CNR2CNR1SMN1; SMN2PDE10ACYP1A2
SCHEMBL2736820 0.83 CNR1 (0.50) CNR2CNR1SMN1; SMN2PDE10ACYP1A2
SCHEMBL2736802 0.83 PDE10A (0.44) CNR2CNR1PDE10AKMT2APOLB
SCHEMBL2736810 0.82 CNR2 (0.56) CNR2CNR1PDE10ACYP1A2CYP2C19
SCHEMBL2736844 0.81 CNR2 (0.52) CNR2CNR1SMN1; SMN2HTTPDE10A
SCHEMBL2736787 0.81 MAOB (0.45) CNR2CNR1SMN1; SMN2HTTPDE10A
SCHEMBL2736808 0.81 CNR1 (0.48) CNR2CNR1SMN1; SMN2PDE10ACYP1A2
SCHEMBL2736854 0.80 CNR1 (0.48) CNR2CNR1SMN1; SMN2PDE10AKMT2A

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 CNR2 1/4885CNR1 2/4885SMN1; SMN2 4652/4885

“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.