SCHEMBL3786160

SCHEMBL3786160

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.49
USP30 Q70CQ3 1/20 0.47
SCN4A P35499 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SCN5A Q14524 1/20 0.45
SCN3A Q9NY46 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CNR1 P21554 2/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3786164 1.00 CNR2 (0.55) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL9108193 0.97 CNR2 (0.59) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL9108198 0.97 CNR2 (0.59) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL9892920 0.92 CNR2 (0.53) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL13257796 0.82 L3MBTL1 (0.55) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL16238715 0.82 L3MBTL1 (0.55) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL13257805 0.81 L3MBTL1 (0.49) L3MBTL1NPC1LMNANPSR1TSHR
SCHEMBL16238616 0.81 L3MBTL1 (0.49) L3MBTL1NPC1LMNANPSR1TSHR
SCHEMBL13257792 0.81 L3MBTL1 (0.53) CNR2L3MBTL1NPC1LMNANPSR1
SCHEMBL16238084 0.81 L3MBTL1 (0.53) CNR2L3MBTL1NPC1LMNANPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO 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 (1 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885L3MBTL1 4308/4885NPC1 1779/4885

“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.