SCHEMBL2736864

SCHEMBL2736864

CCCCn1cc(-c2ccsc2)cc(C(=O)NCc2ccc(F)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PDE10A Q9Y233 1/20 0.45
CNR1 P21554 9/20 0.43
CNR2 P34972 8/20 0.43
LIPG Q9Y5X9 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2736861 0.90 CNR2 (0.54) POLBPDE10ACNR1CNR2ALDH1A1
SCHEMBL2736820 0.89 CNR1 (0.50) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736808 0.86 CNR1 (0.48) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736854 0.85 CNR1 (0.48) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736810 0.84 CNR2 (0.56) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736858 0.84 ALDH1A1 (0.48) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736879 0.83 NPC1 (0.48) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736797 0.83 CNR1 (0.45) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736849 0.83 CNR1 (0.48) POLBRXFP1PDE10ACNR1CNR2
SCHEMBL2736894 0.83 FAAH (0.53) POLBRXFP1PDE10ACNR1CNR2

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 POLB 4136/4885RXFP1 40/4885PDE10A 3728/4885

“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.