SCHEMBL2736722

SCHEMBL2736722

CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 1.00
CNR1 P21554 9/20 1.00
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
KLKB1 P03952 2/20 0.48
KLK1 P06870 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL2736713 0.92 CNR2 (0.86) CNR2CNR1POLBKDM4EALDH1A1
SCHEMBL2736723 0.89 CNR2 (0.80) CNR2CNR1POLBKDM4EALDH1A1
SCHEMBL2736718 0.86 CNR2 (0.75) CNR2CNR1POLBTP53MAPT
SCHEMBL2736777 0.84 CNR2 (0.91) CNR2CNR1POLBKDM4EALDH1A1
SCHEMBL5518027 0.83 CNR2 (0.71) CNR2CNR1
SCHEMBL2736714 0.83 CNR2 (0.70) CNR2CNR1POLBKDM4EALDH1A1
SCHEMBL15786410 0.81 CNR2 (0.78) CNR2CNR1POLBTP53MAPT
SCHEMBL11922977 0.81 CNR2 (0.67) CNR2CNR1
SCHEMBL2745654 0.79 CNR2 (0.65) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL2736736 0.79 CNR2 (0.65) 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 9 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
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 2/4885POLB 1324/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CNR2 1/4885CNR1 2/4885POLB 4136/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885POLB 4245/4885

“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.