SCHEMBL9109068

SCHEMBL9109068

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
CNR2 P34972 19/20 0.53
CNR1 P21554 9/20 0.51

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
SCHEMBL13257801 0.89 CNR2 (0.56) CNR2CNR1
SCHEMBL2123446 0.83 CNR2 (0.62) CNR2CNR1
SCHEMBL2123439 0.83 CNR2 (0.62) CNR2CNR1
SCHEMBL9108999 0.83 CNR2 (0.63) CYP1A2POLBCYP3A4CYP2C19CNR2
SCHEMBL9104824 0.83 CNR2 (0.63) CYP1A2POLBCYP3A4CYP2C19CNR2
SCHEMBL9107118 0.81 CNR2 (0.69) CNR2CNR1
SCHEMBL9106468 0.81 CNR2 (0.52) CNR2CNR1
SCHEMBL9106454 0.81 CNR2 (0.52) CNR2CNR1
SCHEMBL2572536 0.81 CNR2 (0.69) CNR2CNR1
SCHEMBL3786641 0.80 CNR2 (0.74) 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 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 CYP1A2 1529/4885POLB 2879/4885CYP3A4 1707/4885

“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.