SCHEMBL2736594

SCHEMBL2736594

CCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCc1ccccc1-2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.69
CNR1 P21554 11/20 0.69
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2736593 0.90 CNR2 (0.69) CNR2CNR1CYP1A2CYP2D6CYP2C9
SCHEMBL2736592 0.83 CNR2 (0.47) CNR2CNR1
SCHEMBL215603 0.82 CNR2 (0.98) CNR2CNR1MEN1KMT2A
SCHEMBL13715913 0.82 CNR2 (1.00) CNR2CNR1MEN1KMT2A
SCHEMBL2736591 0.81 CNR2 (0.45) CNR2CNR1MAPK1
SCHEMBL2737020 0.77 CNR2 (0.91) CNR2CNR1
SCHEMBL2736723 0.77 CNR2 (0.80) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL2736719 0.77 CNR2 (0.66) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL2736714 0.77 CNR2 (0.70) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL2737021 0.76 CNR2 (0.89) CNR2CNR1SMN1; 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 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 2/4885MEN1 3159/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885MEN1 4507/4885

“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.