SCHEMBL4489207

SCHEMBL4489207

CC1CN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC(C)O1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.58
AGTR1 P30556 1/20 0.57
AGTR2 P50052 1/20 0.57
KDM4E B2RXH2 4/20 0.47
HTT P42858 2/20 0.47
GRM2 Q14416 4/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2A13 Q16696 1/20 0.42
S1PR1 P21453 3/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR3 Q99500 1/20 0.41
POLB P06746 2/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL4467876 0.83 CNR2 (0.50) CNR2AGTR1AGTR2KDM4EHTT
SCHEMBL4470243 0.81 KDM4E (0.62) CNR2AGTR1AGTR2KDM4EHTT
SCHEMBL4470239 0.81 KDM4E (0.62) CNR2AGTR1AGTR2KDM4EHTT
SCHEMBL14495663 0.77 CNR2 (0.58) CNR2KDM4EALDH1A1ATMPOLB
SCHEMBL4478068 0.77 CNR2 (0.65) CNR2KDM4EHRH3S1PR1ALDH1A1
SCHEMBL9163766 0.77 CNR2 (0.58) CNR2AGTR1AGTR2KDM4EHTT
SCHEMBL9163565 0.77 CNR2 (0.58) CNR2AGTR1AGTR2KDM4EHTT
SCHEMBL9163572 0.77 CNR2 (0.58) CNR2AGTR1AGTR2KDM4EHTT
SCHEMBL31612485 0.76 CNR2 (0.59) CNR2KDM4ES1PR1ALDH1A1ATM
SCHEMBL4479931 0.76 CNR2 (0.69) CNR2GRM2S1PR1

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 2/4885AGTR1 234/4885AGTR2 204/4885

“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.