SCHEMBL3076557

SCHEMBL3076557

O=C(O)N1CCCN(c2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.55
SLC6A7 Q99884 5/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2856220 0.93 GAA (0.61) KDM4EALDH1A1TDP1GAASLC6A7
SCHEMBL21551463 0.83 HCRTR1 (0.42) KDM4EALDH1A1TDP1GAASLC6A7
SCHEMBL28112869 0.81 KDM4E (0.55) KDM4EALDH1A1TDP1GAATSHR
SCHEMBL3078097 0.81 SLC6A7 (0.60) KDM4EALDH1A1SLC6A7TSHRHSD17B10
SCHEMBL27580589 0.80 KDM4E (0.62) KDM4EALDH1A1GAASLC6A7TSHR
SCHEMBL29165092 0.79 CPT2 (0.60) KDM4EALDH1A1TDP1GAASLC6A7
SCHEMBL27149977 0.79 CPT2 (0.60) KDM4EALDH1A1TDP1GAASLC6A7
SCHEMBL2168776 0.79 KDM4E (0.60) KDM4EALDH1A1GAATSHRCYP2C19
SCHEMBL3068734 0.79 MEN1 (0.46) KDM4EALDH1A1TDP1SLC6A7MEN1
SCHEMBL26126743 0.79 KDM4E (0.49) KDM4ESLC6A7

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 6 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
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 KDM4E 2422/4885ALDH1A1 2369/4885TDP1 4657/4885

“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.