SCHEMBL3072488

SCHEMBL3072488

O=C(O)N1CCCN(c2ncccc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.58
CNR2 P34972 1/20 0.56
TRPV1 Q8NER1 2/20 0.53
KCNH2 Q12809 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
MALT1 Q9UDY8 1/20 0.52

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
SCHEMBL5693374 0.94 TRPA1 (0.64) TRPA1TRPV1KCNH2TRPM8MALT1
SCHEMBL31348096 0.83 HSD11B1 (0.54) TRPA1CNR2TRPV1MALT1
SCHEMBL5239263 0.82 CNR2 (0.39) TRPA1CNR2TRPV1MALT1
SCHEMBL14257166 0.81 TRPA1 (0.62) TRPA1TRPV1KCNH2TRPM8
SCHEMBL13930766 0.81 TRPA1 (0.62) TRPA1TRPV1KCNH2TRPM8
SCHEMBL2812388 0.80 RBP4 (0.49) MALT1
SCHEMBL28203428 0.80 HSD11B1 (0.54) TRPA1CNR2TRPV1MALT1
SCHEMBL26669421 0.79 MEN1 (0.74) TRPA1TRPV1KCNH2TRPM8
SCHEMBL30980825 0.78 CYP1A2 (0.56) TRPA1CNR2TRPV1MALT1
SCHEMBL20139276 0.78 AKR1C3 (0.57)

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 6 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
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

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 TRPA1 103/4885CNR2 2/4885TRPV1 9/4885

“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.