SCHEMBL4481522

SCHEMBL4481522

Brc1ccc(CN2CCOC(Cc3ccccc3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.63
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
DRD2 P14416 4/20 0.58
DRD3 P35462 4/20 0.58
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
RORC P51449 1/20 0.50

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
SCHEMBL5748888 0.92 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13319146 0.92 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8291789 0.92 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5666506 0.87 DRD4 (0.60) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1552473 0.87 DRD4 (0.60) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5185779 0.87 DRD4 (0.60) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17965933 0.86 DRD4 (0.63) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17965934 0.86 DRD4 (0.63) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9598106 0.85 DRD4 (0.46) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9599441 0.83 DRD4 (0.59) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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 DRD4 441/4885CYP1A2 440/4885CYP3A4 1201/4885

“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.