SCHEMBL9104824

SCHEMBL9104824

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc(C(C)(C)C)no1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.63
CNR1 P21554 5/20 0.63
CYP2C19 P33261 2/20 0.59
POLB P06746 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.44
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
VHL P40337 1/20 0.39

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
SCHEMBL9108999 1.00 CNR2 (0.63) CNR2CNR1CYP2C19POLBCYP1A2
SCHEMBL9892869 0.84 CNR2 (0.59) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9109068 0.83 CYP1A2 (0.59) CNR2CNR1CYP2C19POLBCYP1A2
SCHEMBL9109810 0.82 CNR2 (0.68) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9109798 0.82 CNR2 (0.68) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL16238263 0.81 CNR2 (0.67) CNR2CNR1
SCHEMBL13257821 0.81 CNR2 (0.67) CNR2CNR1
SCHEMBL9892140 0.81 CNR2 (0.67) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9892058 0.81 CNR2 (0.67) CNR2CNR1CYP2C19CYP2C8CYP2C9
SCHEMBL9109037 0.80 CNR2 (0.43) CNR2CNR1CYP2C19POLBCYP1A2

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 7 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-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
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 2/4885CYP2C19 1646/4885

“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.