SCHEMBL16238580

SCHEMBL16238580

O=C(O)C1CCCCCN1C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.49
L3MBTL1 Q9Y468 1/20 0.39
ACE P12821 3/20 0.39

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
SCHEMBL16237608 1.00 CNR2 (0.49) CNR2L3MBTL1ACE
SCHEMBL16238324 0.98 CNR2 (0.50) CNR2ACE
SCHEMBL3794213 0.98 CNR2 (0.50) CNR2ACE
SCHEMBL16238561 0.98 CNR2 (0.50) CNR2ACE
SCHEMBL9107274 0.94 CNR2 (0.48) CNR2ACE
SCHEMBL9102235 0.87 CNR2 (0.40) CNR2ACE
SCHEMBL3713013 0.87 ALDH1A1 (0.46) CNR2L3MBTL1ACE
SCHEMBL7876424 0.87 ALDH1A1 (0.46) CNR2L3MBTL1ACE
SCHEMBL31097181 0.85 ACE (0.46) ACE
SCHEMBL7338310 0.83 ACE (0.49) ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885L3MBTL1 4308/4885ACE 3829/4885

“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.