SCHEMBL2736876

SCHEMBL2736876

CCCCn1cc(-c2cccc(C(F)(F)F)c2)cc(C(=O)NCCCN2CCOCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV4 Q9HBA0 6/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
SLC6A4 P31645 2/20 0.49
GPR52 Q9Y2T5 1/20 0.48
BACE1 P56817 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL2736880 0.91 CD274 (0.56) POLBSMN1; SMN2BACE1BACE2ALDH1A1
SCHEMBL2736851 0.88 TSHR (0.48) POLBSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2736821 0.86 TRPV4 (0.46) POLBTRPV4ALDH1A1KDM4EHPGD
SCHEMBL2736830 0.86 CYP2C9 (0.52) HTR2AHTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL2736872 0.85 KDM4E (0.47) POLBSMN1; SMN2TRPV4ALDH1A1KDM4E
SCHEMBL2736798 0.85 CNR1 (0.51) POLBSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2736815 0.85 CNR2 (0.64) ALDH1A1KDM4EHPGDTSHRMAOA
SCHEMBL2736855 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDTSHRCNR1
SCHEMBL2736809 0.83 CNR1 (0.52) POLBSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2736874 0.82 PDE4A (0.54) POLBSMN1; SMN2HTR2AHTR2CSLC6A4

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 4136/4885SMN1; SMN2 4652/4885TRPV4 630/4885

“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.