SCHEMBL4475739

SCHEMBL4475739

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.67
PDE2A O00408 2/20 0.51
CYP2D6 P10635 1/20 0.48
DRD4 P21917 4/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 2/20 0.47
DRD5 P21918 2/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4484442 0.90 CNR2 (0.61) CNR2PDE2ACYP2D6DRD4DRD2
SCHEMBL4466163 0.89 CNR2 (0.62) CNR2PDE2ACYP2D6DRD4DRD2
SCHEMBL4471272 0.86 CNR2 (0.71) CNR2PDE2ACYP2D6DRD4DRD2
SCHEMBL4468477 0.82 CNR2 (0.60) CNR2PDE2ACYP2D6DRD4DRD2
SCHEMBL4472224 0.81 CNR2 (0.66) CNR2PDE2AL3MBTL1KMT2A
SCHEMBL4651287 0.81 CNR2 (0.64) CNR2SMN1; SMN2
SCHEMBL4474465 0.81 CNR2 (0.60) CNR2PDE2ACYP2D6MEN1KMT2A
SCHEMBL4476530 0.81 CNR2 (0.65) CNR2PDE2ACYP2D6DRD4
SCHEMBL4472215 0.81 CNR2 (1.00) CNR2DRD4
SCHEMBL4466301 0.81 CNR2 (1.00) CNR2DRD4

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 2/4885PDE2A 897/4885CYP2D6 930/4885

“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.