SCHEMBL2736603

SCHEMBL2736603

CC(=O)Nc1cc2c(n(C)c1=O)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.40
CNR2 P34972 9/20 0.39
BAZ2B Q9UIF8 1/20 0.39
CNR1 P21554 5/20 0.39
AHR P35869 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL19995850 0.75 ALDH1A1 (0.44) BAZ2BTP53SMN1; SMN2
SCHEMBL26088619 0.74 CNR2 (0.47) CNR2CNR1AHRHSD17B10
SCHEMBL2736907 0.73 CNR2 (0.49) CNR2CNR1AHRHSD17B10
SCHEMBL26089078 0.73 CNR2 (0.49) CNR2CNR1AHRHSD17B10
SCHEMBL13990928 0.72 CNR2 (0.47) CNR2CNR1AHRHSD17B10
SCHEMBL19995853 0.71 ALDH1A1 (0.44) BAZ2BSMN1; SMN2
SCHEMBL2736618 0.71 CNR2 (0.41) CNR2CNR1
SCHEMBL26088272 0.71 CNR2 (0.44) CNR2CNR1AHRHSD17B10
SCHEMBL2736562 0.71 CNR2 (0.52) CNR2CNR1AHR
SCHEMBL30617776 0.70 CNR2 (0.46) CNR2CNR1TP53SMN1; SMN2

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 5 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
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 BRPF1 1871/4885CNR2 1/4885BAZ2B 524/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R BRPF1 1023/4885CNR2 1/4885BAZ2B 958/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 BRPF1 1589/4885CNR2 2/4885BAZ2B 4638/4885

“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.