SCHEMBL3661268

SCHEMBL3661268

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)NC1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.63
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
CCR6 P51684 8/20 0.42
EPHX2 P34913 1/20 0.42
PTGS1 P23219 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CCR7 P32248 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
DEGS1 O15121 1/20 0.39

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
SCHEMBL3658160 0.92 NPY5R (0.72) NPY5RCNR1CNR2CCR6EPHX2
SCHEMBL3659397 0.90 NPY5R (0.67) NPY5RCNR1CNR2CCR6EPHX2
SCHEMBL3659188 0.89 NPY5R (0.66) NPY5RCNR1CNR2CCR6EPHX2
SCHEMBL1621875 0.85 NPY5R (0.52) NPY5RCNR1CNR2HIF1AEPAS1
SCHEMBL1619860 0.82 CNR2 (0.51) NPY5RCNR1CNR2HIF1AEPAS1
SCHEMBL1620979 0.79 CNR2 (0.54) NPY5RCNR1CNR2PTGS1NPC1
SCHEMBL3653504 0.79 RORC (0.42) NPY5RCNR1CNR2
SCHEMBL15219065 0.78 NPY5R (0.47) NPY5RCNR1CNR2HIF1AEPAS1
Velneperit SCHEMBL29355442 0.78 NPY5R (1.00) NPY5RCCR6EPHX2PTGS1NPC1
Velneperit SCHEMBL10114559 0.78 NPY5R (1.00) NPY5RCCR6EPHX2PTGS1NPC1

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 11 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
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

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 NPY5R 202/4885CNR1 2/4885CNR2 1/4885

“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.