SCHEMBL3067938

SCHEMBL3067938

O=C(C1CCOCC1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 1.00
MAPT P10636 6/20 0.61
TP53 P04637 4/20 0.61
LMNA P02545 2/20 0.60
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
HCRTR1 O43613 1/20 0.58
HCRTR2 O43614 1/20 0.58
GALR3 O60755 1/20 0.57
GAA P10253 1/20 0.57
NR2F2 P24468 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57

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
SCHEMBL3068773 0.92 CNR2 (1.00) CNR2MAPTTP53LMNANPC1
SCHEMBL3076030 0.89 CNR2 (0.80) CNR2MAPTTP53LMNANPC1
SCHEMBL3076454 0.88 CNR2 (0.79) CNR2MAPTTP53LMNANPC1
SCHEMBL3075247 0.86 MAPT (0.77) CNR2MAPTTP53LMNANPC1
SCHEMBL3081119 0.86 CNR2 (0.75) CNR2MAPTNPC1RAB9AHCRTR1
SCHEMBL3080835 0.83 CNR2 (0.70) CNR2MAPTTP53LMNANPC1
SCHEMBL3074648 0.81 CNR2 (0.68) CNR2
SCHEMBL3072923 0.80 CNR2 (0.75) CNR2MAPTTP53LMNANPC1
SCHEMBL3062835 0.80 CNR2 (0.75) CNR2MAPTTP53LMNANPC1
SCHEMBL3082553 0.79 HCRTR1 (0.69) CNR2MAPTTP53LMNANPC1

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 2/4885MAPT 3696/4885TP53 4870/4885

“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.