SCHEMBL12566596

SCHEMBL12566596

CC(C)(NCCCC(F)(F)F)C(=O)Nc1cc(C2(COC3CCCCO3)CCC2)no1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.38
CNR1 P21554 11/20 0.38
IDH2 P48735 2/20 0.30

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
SCHEMBL10219791 0.87 CNR2 (0.55) CNR2CNR1IDH2
SCHEMBL14647354 0.87 CNR2 (0.35) CNR2CNR1
SCHEMBL10217618 0.86 CNR2 (0.55) CNR2CNR1IDH2
SCHEMBL12545346 0.85 CNR2 (0.36) CNR2CNR1
SCHEMBL10221787 0.85 CNR2 (0.54) CNR2CNR1IDH2
SCHEMBL10219818 0.85 CNR2 (0.56) CNR2CNR1IDH2
SCHEMBL13413819 0.84 CNR2 (0.36) CNR2CNR1
SCHEMBL13413821 0.83 CNR2 (0.36) CNR2CNR1
SCHEMBL12545506 0.83 CNR2 (0.36) CNR2CNR1
SCHEMBL12566548 0.83 CNR2 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716635-B1 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2017-02-01 EP disclosed
US-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-8299103-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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 (2 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-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885IDH2 4528/4885
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885IDH2 4528/4885

“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.