SCHEMBL4479931

SCHEMBL4479931

CC(C)C1CN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CCO1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.69
DRD4 P21917 8/20 0.42
NR1I2 O75469 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRM2 Q14416 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
S1PR1 P21453 1/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC2A1 P11166 1/20 0.39
MOGAT2 Q3SYC2 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
SCHEMBL4651239 0.87 CNR2 (0.54) CNR2DRD4NR1I2KCNH2GRM2
SCHEMBL4465145 0.81 CNR2 (1.00) CNR2MOGAT2
SCHEMBL4465139 0.81 CNR2 (1.00) CNR2MOGAT2
SCHEMBL4474738 0.80 CNR2 (0.72) CNR2DRD4DRD2DRD3
SCHEMBL27661580 0.80 DRD4 (0.57) CNR2DRD4DRD2DRD3MOGAT2
SCHEMBL4478068 0.79 CNR2 (0.65) CNR2S1PR1SLC2A1
SCHEMBL4472088 0.78 CNR2 (0.56) CNR2GRM2S1PR1DPP4DPP7
SCHEMBL4475524 0.76 CNR2 (0.87) CNR2
SCHEMBL4489207 0.76 CNR2 (0.58) CNR2GRM2S1PR1
SCHEMBL4489036 0.75 CNR2 (0.64) CNR2S1PR1DPP4DPP7

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 2/4885DRD4 441/4885NR1I2 152/4885

“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.