SCHEMBL2736553

SCHEMBL2736553

Cc1c(C)c(C)n(C)c(=O)c1C(=O)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.53
USP2 O75604 1/20 0.52
TAAR1 Q96RJ0 2/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL2736552 0.86 MEN1 (0.61) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL13991132 0.83 MEN1 (0.66) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2736550 0.81 L3MBTL1 (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2736557 0.78 CNR2 (0.57) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL13440900 0.76 L3MBTL1 (0.87) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL2859256 0.75 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL15969582 0.73 L3MBTL1 (0.71) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL5759224 0.71 CNR2 (0.68) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL22639676 0.70 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL13617372 0.70 MEN1 (0.64) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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 NPC1 3215/4885RAB9A 997/4885SMN1; SMN2 4206/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R NPC1 4500/4885RAB9A 2871/4885SMN1; SMN2 4652/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 NPC1 2141/4885RAB9A 3433/4885SMN1; SMN2 3366/4885

“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.