SCHEMBL2580119

SCHEMBL2580119

CC(C)(C)c1cc(NC(=O)C2CCC(=O)N2c2cccc(C(=O)O)c2)no1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.70
CNR1 P21554 8/20 0.49
CYP2C8 P10632 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL2580111 1.00 CNR2 (0.70) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL16542488 0.93 CNR2 (0.70) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2577547 0.91 CNR2 (0.68) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9104461 0.91 CNR2 (0.68) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2587335 0.91 CNR2 (0.68) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892014 0.90 CNR2 (0.81) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892019 0.90 CNR2 (0.67) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892201 0.89 CNR2 (0.82) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL13284766 0.88 CNR2 (0.71) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892212 0.88 CNR2 (0.71) CNR2CNR1CYP2C8CYP2C19CYP2D6

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-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
EP-2384320-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885CYP2C8 807/4885

“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.