SCHEMBL4485265

SCHEMBL4485265

Brc1ccc(CN2CCCC(c3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.60
DRD2 P14416 2/20 0.56
DRD1 P21728 2/20 0.56
DRD4 P21917 2/20 0.56
DRD5 P21918 2/20 0.56
DRD3 P35462 2/20 0.56
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
BACE1 P56817 2/20 0.54
CYP2D6 P10635 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC18A3 Q16572 1/20 0.50
PDE2A O00408 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4476807 0.91 MEN1 (0.63) CNR2BCHEACHEBACE1MEN1
SCHEMBL28226193 0.89 CYP1A2 (0.66) CNR2DRD2DRD1DRD4DRD5
SCHEMBL20148958 0.85 ACHE (0.60) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4691061 0.84 CNR2 (0.90) CNR2DRD2DRD1DRD4DRD5
SCHEMBL20645686 0.82 KDM4E (0.52) MEN1KMT2APDE2A
SCHEMBL24460749 0.82 CNR2 (0.70) CNR2DRD2DRD1DRD4DRD5
SCHEMBL22795508 0.81 CYP2D6 (0.62) CNR2DRD2DRD1DRD4DRD5
SCHEMBL22794988 0.81 CYP2D6 (0.62) CNR2DRD2DRD1DRD4DRD5
SCHEMBL14642000 0.81 MEN1 (0.61) CNR2DRD2DRD1DRD4DRD5
SCHEMBL22794990 0.81 CYP2D6 (0.62) CNR2DRD2DRD1DRD4DRD5

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 2/4885DRD2 211/4885DRD1 293/4885

“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.