SCHEMBL4478068

SCHEMBL4478068

FC(F)(F)c1ccccc1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.65
HRH3 Q9Y5N1 2/20 0.59
SLC2A1 P11166 1/20 0.56
HIF1A Q16665 4/20 0.52
EPAS1 Q99814 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2D6 P10635 4/20 0.49
TSHR P16473 3/20 0.49
CLK4 Q9HAZ1 2/20 0.49
USP2 O75604 1/20 0.49
S1PR1 P21453 1/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 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
SCHEMBL4468766 0.94 CNR2 (0.59) CNR2HRH3SLC2A1HIF1AEPAS1
SCHEMBL31612485 0.84 CNR2 (0.59) CNR2ALDH1A1KDM4EATMS1PR1
SCHEMBL4476884 0.83 CNR2 (0.58) CNR2HRH3ALDH1A1KDM4EATM
SCHEMBL14495663 0.83 CNR2 (0.58) CNR2HIF1AALDH1A1KDM4EATM
SCHEMBL4488918 0.80 HRH3 (0.67) CNR2HRH3SLC2A1ALDH1A1TSHR
SCHEMBL4465145 0.80 CNR2 (1.00) CNR2
SCHEMBL4465139 0.80 CNR2 (1.00) CNR2
SCHEMBL4479931 0.79 CNR2 (0.69) CNR2SLC2A1S1PR1
SCHEMBL4474738 0.79 CNR2 (0.72) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4489207 0.77 CNR2 (0.58) CNR2HRH3ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP claimed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US claimed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO claimed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CNR2 2/4885HRH3 283/4885SLC2A1 3665/4885

“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.