SCHEMBL9105307

SCHEMBL9105307

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPY5R Q15761 1/20 0.47
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
DEGS1 O15121 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PTGS1 P23219 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
EPHX2 P34913 1/20 0.39
GAA P10253 2/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3A P31941 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
SCHEMBL9105614 0.82 NPC1 (0.57) POLBCYP2C19NPY5RCNR2CNR1
SCHEMBL9105606 0.82 NPC1 (0.57) POLBCYP2C19NPY5RCNR2CNR1
SCHEMBL16238382 0.82 NPC1 (0.53) POLBNPY5RCNR2CNR1DEGS1
SCHEMBL13257798 0.82 NPC1 (0.53) POLBNPY5RCNR2CNR1DEGS1
SCHEMBL23522792 0.81 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19NPY5R
SCHEMBL23522791 0.81 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19NPY5R
SCHEMBL23522793 0.81 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19NPY5R
SCHEMBL9892029 0.80 NPY5R (0.46) NPY5RCNR2CNR1DEGS1PTGS1
SCHEMBL2570675 0.79 CNR2 (0.52) NPY5RCNR2CNR1DEGS1ABL1
SCHEMBL29840858 0.77 CYP1A2 (0.45) POLBCYP1A2CYP3A4CYP2C19DEGS1

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 POLB 2879/4885CYP1A2 1529/4885CYP3A4 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.