SCHEMBL2677813

SCHEMBL2677813

O=C(O)N1CCCN(C(=O)C2CCCOC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.45
EPHX2 P34913 4/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
FASN P49327 1/20 0.38
MAPK1 P28482 1/20 0.38
TFPI2 P48307 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2678757 0.92 CNR2 (0.49) CNR2ALDH1A1TSHRLMNAEPHX2
SCHEMBL2677465 0.81 TSHR (0.52) CNR2ALDH1A1TSHRLMNAHPGD
SCHEMBL2677613 0.81 ALDH1A1 (0.72) CNR2ALDH1A1TSHRLMNAHPGD
SCHEMBL2677457 0.80 HPGD (0.53) CNR2ALDH1A1TSHRLMNAHPGD
SCHEMBL13013114 0.79 HPGD (0.57) CNR2ALDH1A1TSHREPHX2HPGD
SCHEMBL2676701 0.79 ALDH1A1 (0.76) CNR2ALDH1A1TSHRLMNAHPGD
SCHEMBL2677816 0.79 ALDH1A1 (0.76) CNR2ALDH1A1TSHRLMNAHPGD
SCHEMBL17546315 0.79 EPHX2 (0.46) CNR2ALDH1A1TSHRLMNAEPHX2
SCHEMBL26124277 0.79 HPGD (0.68) CNR2ALDH1A1TSHRLMNAHPGD
SCHEMBL2677236 0.78 HPGD (0.57) CNR2ALDH1A1TSHRLMNAHPGD

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 CNR2 1/4885ALDH1A1 1695/4885TSHR 995/4885

“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.