SCHEMBL2736797

SCHEMBL2736797

CCCCn1cc(-c2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccc(F)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.45
CNR2 P34972 9/20 0.45
PDE10A Q9Y233 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41

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) CNR1CNR2PDE10AHDAC1HDAC6
SCHEMBL2736879 0.93 NPC1 (0.48) CNR1CNR2PDE10AHDAC1HDAC6
SCHEMBL2736795 0.90 CNR2 (0.54) CNR1CNR2PDE10APOLBLIPG
SCHEMBL2736808 0.90 CNR1 (0.48) CNR1CNR2PDE10AHDAC1HDAC6
SCHEMBL2736854 0.89 CNR1 (0.48) CNR1CNR2PDE10AHDAC1HDAC6
SCHEMBL2736810 0.88 CNR2 (0.56) CNR1CNR2PDE10APOLBRXFP1
SCHEMBL2736894 0.87 FAAH (0.53) CNR1CNR2PDE10AHDAC1HDAC6
SCHEMBL2736875 0.84 ELANE (0.52) CNR2PDE10ASMN1; SMN2
SCHEMBL2736877 0.84 CNR2 (0.53) CNR1CNR2PDE10ANPC1RAB9A
SCHEMBL2736849 0.83 CNR1 (0.48) CNR1CNR2PDE10AHDAC6POLB

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 CNR1 2/4885CNR2 1/4885PDE10A 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.