SCHEMBL2736895

SCHEMBL2736895

CCCCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c(=O)n(CCCC)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN2A Q99250 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SCN3A Q9NY46 1/20 0.50
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2736855 0.90 SMN1; SMN2 (0.55) CNR2CNR1MAPK1ALDH1A1LMNA
SCHEMBL2736809 0.89 CNR1 (0.52) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2736815 0.89 CNR2 (0.64) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2736798 0.88 CNR1 (0.51) CNR2CNR1KDM4EMAPK1ALDH1A1
SCHEMBL2736880 0.87 CD274 (0.56) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2736830 0.85 CYP2C9 (0.52) KDM4EALDH1A1HTR2ALMNAGAA
SCHEMBL2736841 0.84 KDM4E (0.56) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2736865 0.84 CHEK1 (0.47) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2736851 0.84 TSHR (0.48) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2736846 0.82 SMYD2 (0.54) KDM4EALDH1A1LMNAGAAMAPT

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 HRH3 26/4885CNR2 1/4885CNR1 2/4885

“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.