SCHEMBL3661203

SCHEMBL3661203

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)NC2CCCC2)no1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.57
CNR1 P21554 11/20 0.57
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
EGFR P00533 1/20 0.46

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
SCHEMBL3657938 0.99 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL3787987 0.95 CNR2 (0.59) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL3655665 0.91 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1620543 0.83 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1620926 0.82 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1619477 0.82 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1620892 0.80 CNR2 (0.58) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL3653682 0.80 CNR2 (0.58) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL1621807 0.79 CNR2 (0.52) CNR2CNR1NPC1SMN1; SMN2LMNA
SCHEMBL2253278 0.79 NPC1 (0.54) CNR2CNR1NPC1SMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US claimed
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO claimed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885NPC1 1315/4885

“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.