SCHEMBL2736879

SCHEMBL2736879

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PDE10A Q9Y233 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 7/20 0.45
CNR1 P21554 6/20 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
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
MTTP P55157 2/20 0.42
ELANE P08246 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
TACR1 P25103 1/20 0.42

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) PDE10ACNR2CNR1HDAC1HDAC6
SCHEMBL2736797 0.93 CNR1 (0.45) NPC1RAB9APDE10ACNR2CNR1
SCHEMBL2736877 0.91 CNR2 (0.53) NPC1RAB9APDE10ACNR2CNR1
SCHEMBL2736808 0.90 CNR1 (0.48) PDE10ACNR2CNR1HDAC1HDAC6
SCHEMBL2736875 0.90 ELANE (0.52) PDE10AKDM4EALDH1A1CNR2ELANE
SCHEMBL2736854 0.89 CNR1 (0.48) PDE10AKDM4EALDH1A1CNR2CNR1
SCHEMBL2736810 0.88 CNR2 (0.56) PDE10ACNR2CNR1POLBRXFP1
SCHEMBL2736894 0.87 FAAH (0.53) PDE10ACNR2CNR1HDAC1HDAC6
SCHEMBL2736871 0.84 CNR2 (0.46) NPC1RAB9APDE10AALDH1A1CNR2
SCHEMBL2736864 0.83 POLB (0.46) PDE10AKDM4EALDH1A1CNR2CNR1

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 NPC1 4500/4885RAB9A 2871/4885PDE10A 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.