SCHEMBL3068685

SCHEMBL3068685

O=C(C1CCC(O)CC1)N1CCCN(c2nc3cc(C(F)(F)F)ccc3o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.67
PTGES O14684 2/20 0.51
POLB P06746 1/20 0.47
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL3072511 0.90 CNR2 (0.82) CNR2PTGESPOLBHCRTR1HCRTR2
SCHEMBL3078090 0.89 CNR2 (0.65) CNR2PTGESPOLBHCRTR1HCRTR2
SCHEMBL3063013 0.82 CNR2 (0.81) CNR2PTGESHCRTR1HCRTR2LMNA
SCHEMBL3085225 0.80 CNR2 (1.00) CNR2PTGESLMNAHTTSMN1; SMN2
SCHEMBL3068272 0.80 CNR2 (0.82) CNR2PTGESHCRTR1HCRTR2LMNA
SCHEMBL3068680 0.80 CNR2 (0.78) CNR2PTGESLMNAHTTSMN1; SMN2
SCHEMBL23336154 0.78 CNR2 (0.59) CNR2PTGESHCRTR1HCRTR2LMNA
SCHEMBL3466827 0.76 CNR2 (0.56) CNR2PTGESHCRTR1HCRTR2LMNA
SCHEMBL3086450 0.76 CNR2 (0.78) CNR2PTGESALDH1A1
SCHEMBL15750161 0.76 CNR2 (0.55) CNR2PTGESHCRTR1HCRTR2LMNA

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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US claimed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO claimed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 CNR2 2/4885PTGES 244/4885POLB 4326/4885

“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.