SCHEMBL3075247

SCHEMBL3075247

O=C(C1CCOCC1)N1CCCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
NPC1 O15118 7/20 0.77
RAB9A P51151 6/20 0.77
TP53 P04637 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
CNR2 P34972 4/20 0.75
LMNA P02545 4/20 0.56
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL3076030 0.87 CNR2 (0.80) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3068773 0.86 CNR2 (1.00) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3076454 0.86 CNR2 (0.79) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3067938 0.86 CNR2 (1.00) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3069004 0.84 NPC1 (0.66) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3087889 0.84 CNR2 (0.62) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3072923 0.83 CNR2 (0.75) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3062835 0.83 CNR2 (0.75) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3081074 0.79 CNR2 (0.69) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL20964558 0.78 NPC1 (0.73) MAPTNPC1RAB9ATP53SMN1; SMN2

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 8 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

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 MAPT 3696/4885NPC1 1695/4885RAB9A 3016/4885

“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.