SCHEMBL2575204

SCHEMBL2575204

CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2c2ncc(C(F)(F)F)cc2Cl)no1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.74
CNR1 P21554 12/20 0.74
SMN1; SMN2 Q16637 1/20 0.55
CYP2C8 P10632 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9892028 1.00 CNR2 (0.74) CNR2CNR1SMN1; SMN2CYP2C8CYP2C19
SCHEMBL16254900 0.91 CNR2 (0.80) CNR2CNR1SMN1; SMN2CYP2C8CYP2C19
SCHEMBL20458233 0.86 CNR2 (0.90) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2126970 0.86 CNR2 (0.90) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892041 0.85 CNR2 (0.64) CNR2CNR1SMN1; SMN2CYP2C8CYP2C19
SCHEMBL9893079 0.85 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2574761 0.85 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892035 0.84 CNR2 (0.74) CNR2CNR1SMN1; SMN2CYP2C8CYP2C19
SCHEMBL13257146 0.84 CNR2 (0.95) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892027 0.84 CNR2 (0.75) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US 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
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 2/4885SMN1; SMN2 4659/4885

“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.