SCHEMBL2736555

SCHEMBL2736555

Cc1cc(C(=O)NCCc2ccccc2)c(=O)n(CC2CCCCC2)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.52
CNR1 P21554 10/20 0.52
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
BRD4 O60885 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BCL2A1 Q16548 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL2736554 0.90 CNR2 (0.64) CNR2CNR1BRD4
SCHEMBL5525071 0.85 CNR2 (0.53) CNR2CNR1
SCHEMBL27680168 0.84 CNR1 (0.59) CNR2CNR1
SCHEMBL2736774 0.83 CNR2 (0.54) CNR2CNR1EPHX2MEN1KMT2A
SCHEMBL5524512 0.83 CNR2 (0.66) CNR2CNR1
SCHEMBL5524504 0.81 CNR1 (0.71) CNR2CNR1KMT2A
SCHEMBL5517849 0.81 CNR1 (0.71) CNR2CNR1KMT2A
SCHEMBL11922702 0.80 CNR2 (0.48) CNR2CNR1BRD4
SCHEMBL5516605 0.80 BRD4 (0.54) CNR2CNR1BRD4
SCHEMBL5522562 0.80 CNR2 (0.45) CNR2CNR1MEN1KMT2ABRD4

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 11 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
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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 (3 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 CNR2 1/4885CNR1 2/4885EPHX2 674/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CNR2 1/4885CNR1 2/4885EPHX2 1077/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885EPHX2 1219/4885

“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.