SCHEMBL3083019

SCHEMBL3083019

Cc1csc2ncnc(N3CCCN(C(=O)N4CCOCC4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 1/20 0.48
AKR1C3 P42330 3/20 0.48
KMT2A Q03164 4/20 0.47
CHRM4 P08173 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 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
SCHEMBL3404456 0.78 KMT2A (0.72) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL3340049 0.76 MAPK1 (0.57) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL3342419 0.75 MAPT (0.52) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL3339972 0.73 MAPT (0.65) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL3062989 0.72 PRKCI (0.60) MAPK1MAPTLMNANPSR1PKM
SCHEMBL3345764 0.72 RAB9A (0.51) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL3339777 0.72 MAPT (0.49) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL1899118 0.72 KMT2A (0.53) MAPK1MAPTLMNAALDH1A1NPSR1
SCHEMBL14938246 0.72 DRD2 (0.54) MAPK1MAPTLMNANPSR1PKM
SCHEMBL27978531 0.71 ADRB2 (0.58) MAPK1MAPTLMNAALDH1A1NPSR1

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 MAPK1 1112/4885MAPT 3696/4885LMNA 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.