SCHEMBL2736597

SCHEMBL2736597

Cc1cc(NCc2nc3ccccc3o2)c(=O)n(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 2/20 0.41
PIK3CB P42338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL2760217 0.86 CNR2 (0.61) CNR2LMNAALDH1A1SIRT2SIRT1
SCHEMBL9281450 0.71 RAB9A (0.41) NPC1RAB9AMAPTPIK3CBSMN1; SMN2
SCHEMBL9432441 0.70 RAB9A (0.43) NPC1RAB9AMAPTPIK3CBSMN1; SMN2
SCHEMBL2736490 0.70 ALDH1A1 (0.46) CNR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2736483 0.70 CNR2 (0.71) CNR2NPC1RAB9AMAPTKDM4E
SCHEMBL9431965 0.70 RAB9A (0.40) NPC1RAB9AMAPTPIK3CBSMN1; SMN2
SCHEMBL9433191 0.69 RAB9A (0.46) NPC1RAB9AMAPTPIK3CBSMN1; SMN2
SCHEMBL28544876 0.69 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL30619952 0.69 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL28671248 0.69 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2LMNA

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 CNR2 1/4885NPC1 3215/4885RAB9A 997/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CNR2 1/4885NPC1 4500/4885RAB9A 2871/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885NPC1 2141/4885RAB9A 3433/4885

“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.