SCHEMBL3136764

SCHEMBL3136764

CC(C)(C)OC(=O)Nc1cc(C(C)(C)COC2CCCCO2)no1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.46
CNR1 P21554 11/20 0.46
SCD O00767 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL18433712 0.89 CNR2 (0.48) CNR2CNR1ALDH1A1
SCHEMBL2186110 0.89 CNR2 (0.50) CNR2CNR1ALDH1A1
SCHEMBL14671239 0.88 CNR2 (0.47) CNR2CNR1ALDH1A1
SCHEMBL12566470 0.88 CNR2 (0.52) CNR2CNR1
SCHEMBL1691214 0.88 CNR2 (0.51) CNR2CNR1
SCHEMBL12566574 0.86 CNR2 (0.49) CNR2CNR1ALDH1A1
SCHEMBL14647317 0.86 CNR2 (0.49) CNR2CNR1
SCHEMBL18433325 0.85 CNR2 (0.56) CNR2CNR1
SCHEMBL1691347 0.84 CNR2 (0.47) CNR2CNR1
SCHEMBL12566553 0.84 CNR2 (0.48) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342199-B1 Sulfonyl compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2014-02-26 EP disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 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-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885SCD 1678/4885

“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.