SCHEMBL4476884

SCHEMBL4476884

FC(F)(F)c1ccccc1-c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.58
SIGMAR1 Q99720 1/20 0.55
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
CHRM3 P20309 1/20 0.48
CXCR4 P61073 8/20 0.48
MEN1 O00255 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2C P18825 1/20 0.48
CCR2 P41597 1/20 0.48
CXCL12 P48061 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
S1PR1 P21453 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL31612485 0.84 CNR2 (0.59) CNR2KDM4EALDH1A1ATMMEN1
SCHEMBL14495663 0.83 CNR2 (0.58) CNR2KDM4EALDH1A1ATMMEN1
SCHEMBL4478068 0.83 CNR2 (0.65) CNR2KDM4EALDH1A1ATMHRH3
SCHEMBL27966164 0.80 SIGMAR1 (0.62) CNR2SIGMAR1CXCR4MEN1CHRM2
SCHEMBL4476032 0.80 CNR2 (0.66) CNR2KDM4EALDH1A1ATMMEN1
SCHEMBL4466265 0.79 CNR2 (0.59) CNR2SIGMAR1KDM4EALDH1A1ATM
SCHEMBL4472088 0.79 CNR2 (0.56) CNR2KDM4EALDH1A1ATMMEN1
SCHEMBL4469485 0.79 CNR2 (0.59) CNR2SIGMAR1KDM4EALDH1A1ATM
SCHEMBL4466263 0.79 CNR2 (0.59) CNR2SIGMAR1KDM4EALDH1A1ATM
SCHEMBL4468766 0.78 CNR2 (0.59) CNR2KDM4EALDH1A1ATMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885SIGMAR1 254/4885KDM4E 2472/4885

“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.