SCHEMBL3086401

SCHEMBL3086401

Cc1ccc(C)c2sc(N3CCCN(C(=O)C4CCOCC4)CC3)nc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.66
LMNA P02545 2/20 0.66
POLB P06746 1/20 0.66
CNR2 P34972 6/20 0.59
TP53 P04637 4/20 0.54
HPGD P15428 1/20 0.51
SLC2A1 P11166 1/20 0.50
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3084617 0.92 MAPT (0.80) MAPTLMNAPOLBCNR2TP53
SCHEMBL3087889 0.86 CNR2 (0.62) MAPTLMNAPOLBCNR2TP53
SCHEMBL3082688 0.82 MAPT (0.79) MAPTLMNAPOLBCNR2TP53
SCHEMBL3080835 0.81 CNR2 (0.70) MAPTLMNAPOLBCNR2TP53
SCHEMBL3062840 0.81 MAPT (0.80) MAPTLMNAPOLBCNR2TP53
SCHEMBL3076030 0.79 CNR2 (0.80) MAPTLMNACNR2TP53HPGD
SCHEMBL3082154 0.78 MAPT (0.68) MAPTLMNAPOLBTP53HPGD
SCHEMBL3074624 0.78 DPP4 (0.61) MAPTLMNACNR2TP53ALDH1A1
SCHEMBL3075247 0.77 MAPT (0.77) MAPTLMNACNR2TP53ALDH1A1
SCHEMBL3068773 0.74 CNR2 (1.00) MAPTLMNACNR2TP53GAA

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 3696/4885LMNA 4272/4885POLB 4326/4885

“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.