SCHEMBL2678356

SCHEMBL2678356

O=C(O)N1CCCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
TDP1 Q9NUW8 1/20 0.76
LMNA P02545 4/20 0.68
ALDH1A1 P00352 3/20 0.68
USP2 O75604 1/20 0.68
GAA P10253 1/20 0.68
KDM4E B2RXH2 2/20 0.63
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ME2 P23368 1/20 0.62
ME1 P48163 1/20 0.62
ME3 Q16798 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL29516320 0.94 MEN1 (0.86) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL10721826 0.90 MEN1 (1.00) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL10064244 0.89 MEN1 (0.83) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL14578666 0.83 L3MBTL1 (0.89) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL6390973 0.83 MEN1 (0.84) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL793748 0.81 POLB (0.75) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL5072941 0.79 MEN1 (0.78) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL652552 0.79 MEN1 (0.78) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL8320871 0.79 ALDH1A1 (0.79) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL10244640 0.79 MEN1 (0.77) MEN1KMT2ATDP1LMNAALDH1A1

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-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MEN1 4826/4885KMT2A 3896/4885TDP1 4707/4885

“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.