SCHEMBL2676145

SCHEMBL2676145

O=C(CCC1CCCCC1)N1CCCN(C(=O)Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.67
CNR1 P21554 1/20 0.66
KDM4E B2RXH2 1/20 0.54
EPHX1 P07099 1/20 0.53
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
EPHX2 P34913 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FAAH O00519 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL2678018 0.99 CNR2 (0.69) CNR2CNR1KDM4EEPHX1LMNA
SCHEMBL2676305 0.96 CNR2 (0.64) CNR2CNR1KDM4EEPHX1LMNA
SCHEMBL10257570 0.89 CNR2 (0.63) CNR2CNR1KDM4EEPHX1ALDH1A1
SCHEMBL10253777 0.88 CNR2 (0.64) CNR2CNR1KDM4EEPHX1LMNA
SCHEMBL2677901 0.85 KDM4E (0.56) CNR2CNR1KDM4ELMNASMN1; SMN2
SCHEMBL2676954 0.82 CNR2 (0.67) CNR2CNR1LMNAALDH1A1SMN1; SMN2
SCHEMBL10253268 0.82 CNR2 (0.98) CNR2CNR1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL2677586 0.81 CNR2 (0.63) CNR2KDM4EEPHX1LMNASMN1; SMN2
SCHEMBL10253015 0.81 CNR2 (0.78) CNR2CNR1KDM4ESMN1; SMN2NAMPT
SCHEMBL2676149 0.81 CNR2 (0.57) CNR2CNR1KDM4ELMNAALDH1A1

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 11 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-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
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
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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
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 1/4885CNR1 2/4885KDM4E 3926/4885

“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.