SCHEMBL9892318

SCHEMBL9892318

CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2cc(C(C)(C)C)on2)N(c2ccc(Cl)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.66
CNR1 P21554 12/20 0.66
CYP2C8 P10632 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2D6 P10635 1/20 0.52
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9892274 0.89 CNR2 (0.53) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2586477 0.86 CNR2 (0.71) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892270 0.84 CNR2 (0.76) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL20458164 0.81 CNR2 (0.88) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2142121 0.81 CNR2 (0.88) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892331 0.79 CNR2 (0.64) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892082 0.79 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892065 0.79 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL13257134 0.79 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892273 0.78 CNR2 (0.62) CNR2CNR1CYP2C8CYP2C19CYP2C9

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
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
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.