SCHEMBL3072923

SCHEMBL3072923

COc1ccc2sc(N3CCCN(C(=O)C4CCOCC4)CC3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.75
MAPT P10636 10/20 0.68
TP53 P04637 8/20 0.68
LMNA P02545 4/20 0.68
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MGLL Q99685 1/20 0.48

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
SCHEMBL3075093 0.87 CNR2 (0.55) CNR2MAPTTP53LMNAALDH1A1
SCHEMBL3068773 0.86 CNR2 (1.00) CNR2MAPTTP53LMNASMN1; SMN2
SCHEMBL3075247 0.83 MAPT (0.77) CNR2MAPTTP53LMNAALDH1A1
SCHEMBL3062835 0.83 CNR2 (0.75) CNR2MAPTTP53LMNAALDH1A1
SCHEMBL3076030 0.83 CNR2 (0.80) CNR2MAPTTP53LMNAALDH1A1
SCHEMBL3076454 0.80 CNR2 (0.79) CNR2MAPTTP53LMNAALDH1A1
SCHEMBL3067938 0.80 CNR2 (1.00) CNR2MAPTTP53LMNASMN1; SMN2
SCHEMBL3062840 0.77 MAPT (0.80) CNR2MAPTTP53LMNASMN1; SMN2
SCHEMBL3080835 0.77 CNR2 (0.70) CNR2MAPTTP53LMNAALDH1A1
SCHEMBL3087889 0.76 CNR2 (0.62) CNR2MAPTTP53LMNAALDH1A1

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 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.