SCHEMBL4484442

SCHEMBL4484442

Cc1ccc(C)c(-c2ccc(CN3CCCC(c4ccccc4)C3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.61
CYP2D6 P10635 1/20 0.49
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
DRD1 P21728 2/20 0.48
DRD5 P21918 2/20 0.48
PDE2A O00408 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
CCR5 P51681 1/20 0.43

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
SCHEMBL4475739 0.90 CNR2 (0.67) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL4468477 0.90 CNR2 (0.60) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL4474086 0.80 CNR2 (0.82) CNR2DRD4
SCHEMBL4481520 0.80 CNR2 (0.53) CNR2CYP2D6BCHEACHEBACE1
SCHEMBL4471272 0.80 CNR2 (0.71) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL28226193 0.78 CYP1A2 (0.66) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL4466163 0.78 CNR2 (0.62) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL22794988 0.76 CYP2D6 (0.62) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL22794990 0.76 CYP2D6 (0.62) CNR2CYP2D6DRD2DRD4DRD3
SCHEMBL22795508 0.76 CYP2D6 (0.62) CNR2CYP2D6DRD2DRD4DRD3

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 7 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
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

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 2/4885CYP2D6 930/4885DRD2 211/4885

“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.