SCHEMBL4472249

SCHEMBL4472249

Clc1ccccc1-c1ccc(CN2CCNC(Cc3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
LTA4H P09960 1/20 0.52
GRM2 Q14416 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
PDE2A O00408 1/20 0.40
TACR1 P25103 1/20 0.39
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
CCR3 P51677 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL4474543 1.00 CNR2 (0.54) CNR2LTA4HGRM2SIGMAR1ALDH1A1
SCHEMBL4472251 1.00 CNR2 (0.54) CNR2LTA4HGRM2SIGMAR1ALDH1A1
SCHEMBL4477113 0.89 LTA4H (0.48) CNR2LTA4HSIGMAR1ALDH1A1CYP2D6
SCHEMBL4474488 0.89 LTA4H (0.48) CNR2LTA4HSIGMAR1ALDH1A1CYP2D6
SCHEMBL4649543 0.89 LTA4H (0.48) CNR2LTA4HSIGMAR1ALDH1A1CYP2D6
SCHEMBL4290430 0.87 LTA4H (0.58) LTA4HSIGMAR1ALDH1A1CYP2D6TACR1
SCHEMBL4473200 0.87 CNR2 (0.58) CNR2LTA4HGRM2SIGMAR1ALDH1A1
SCHEMBL4472810 0.87 CNR2 (0.58) CNR2LTA4HGRM2SIGMAR1ALDH1A1
SCHEMBL4469949 0.87 CNR2 (0.58) CNR2LTA4HGRM2SIGMAR1ALDH1A1
SCHEMBL3491795 0.86 LTA4H (0.61) LTA4HSIGMAR1ALDH1A1CYP2D6TACR1

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 4 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
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
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 2/4885LTA4H 1547/4885GRM2 219/4885

“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.