SCHEMBL2736591

SCHEMBL2736591

CCCCn1c2c(cc(C(=O)OC)c1=O)CCc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.45
CNR1 P21554 9/20 0.45
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA5 P31644 1/20 0.39
GABRA2 P47869 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2736592 0.87 CNR2 (0.47) CNR2CNR1ALDH1A1L3MBTL1
SCHEMBL2736593 0.82 CNR2 (0.69) CNR2CNR1KDM4EALDH1A1
SCHEMBL2736594 0.81 CNR2 (0.69) CNR2CNR1MAPK1
SCHEMBL218310 0.75 CNR2 (0.73) CNR2CNR1
SCHEMBL2736988 0.70 CNR2 (0.66) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL9338243 0.66 GABRG2 (0.53) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL216474 0.65 BRD4 (0.42) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL5524956 0.65 CNR2 (0.68) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL4415630 0.65 CNR2 (0.70) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL2736943 0.65 CNR2 (0.73) CNR2CNR1

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 4 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-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-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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 (2 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 CNR2 1/4885CNR1 2/4885GABRA1 355/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885GABRA1 326/4885

“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.