SCHEMBL2736798

SCHEMBL2736798

CCCCn1cc(-c2ccc(C(C)(C)C)cc2)cc(C(=O)NCCCN2CCOCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CD274 Q9NZQ7 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 0.92 CD274 (0.56) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2736855 0.90 SMN1; SMN2 (0.55) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2736809 0.89 CNR1 (0.52) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2736815 0.89 CNR2 (0.64) CNR1CNR2LMNAALDH1A1MAPT
SCHEMBL2736895 0.88 HRH3 (0.51) CNR1CNR2LMNAALDH1A1GAA
SCHEMBL2736876 0.85 POLB (0.51) CNR1CNR2ALDH1A1SMN1; SMN2POLB
SCHEMBL2736841 0.84 KDM4E (0.56) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2736851 0.84 TSHR (0.48) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2736865 0.84 CHEK1 (0.47) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2736846 0.82 SMYD2 (0.54) LMNAALDH1A1SMN1; SMN2GAAMAPT

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 1/4885LMNA 3511/4885

“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.