SCHEMBL3080176

SCHEMBL3080176

Cc1cc(C)c2sc(N3CCCN(C(=O)N4CCOCC4)CC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
TP53 P04637 2/20 0.62
LMNA P02545 1/20 0.50
ALDH1A1 P00352 6/20 0.49
CNR2 P34972 3/20 0.48
AKR1C3 P42330 4/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3082688 0.86 MAPT (0.79) MAPTTP53LMNAALDH1A1CNR2
SCHEMBL3082154 0.77 MAPT (0.68) MAPTTP53LMNAALDH1A1AKR1C3
SCHEMBL3069004 0.76 NPC1 (0.66) MAPTTP53LMNAALDH1A1CNR2
SCHEMBL3081119 0.74 CNR2 (0.75) MAPTCNR2AKR1C3RAB9AGAA
SCHEMBL3075093 0.74 CNR2 (0.55) MAPTTP53LMNAALDH1A1CNR2
SCHEMBL3088185 0.71 MAPT (0.64) MAPTTP53LMNACNR2AKR1C3
SCHEMBL30597544 0.71 MAPT (0.69) MAPTTP53LMNAALDH1A1RAB9A
SCHEMBL3074638 0.68 CNR2 (0.74) TP53LMNAALDH1A1CNR2AKR1C3
SCHEMBL3076030 0.68 CNR2 (0.80) MAPTTP53LMNAALDH1A1CNR2
SCHEMBL3086401 0.67 MAPT (0.66) MAPTTP53LMNAALDH1A1CNR2

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 3696/4885TP53 4870/4885LMNA 4272/4885

“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.