SCHEMBL3074624

SCHEMBL3074624

Cc1csc(N2CCCN(C(=O)C3CCOCC3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
CNR2 P34972 12/20 0.58
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GBA1 P04062 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
SCHEMBL3081074 0.82 CNR2 (0.69) CNR2ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL13894368 0.81 HRH3 (0.47) DPP4ALDH1A1SMN1; SMN2HRH3LMNA
SCHEMBL10253559 0.80 CNR2 (0.76) CNR2SMN1; SMN2LMNA
SCHEMBL3086401 0.78 MAPT (0.66) CNR2ALDH1A1TP53MAPTLMNA
SCHEMBL3076030 0.77 CNR2 (0.80) CNR2ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL3082688 0.76 MAPT (0.79) CNR2ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL3087889 0.76 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL3075080 0.75 CNR2 (0.63) CNR2ALDH1A1HSD17B10GBA1
SCHEMBL3075247 0.75 MAPT (0.77) CNR2ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL3084617 0.74 MAPT (0.80) CNR2ALDH1A1TP53MAPTLMNA

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 DPP4 3300/4885CNR2 2/4885ALDH1A1 2369/4885

“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.