SCHEMBL9892166

SCHEMBL9892166

O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCN1CC1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.60
CNR1 P21554 9/20 0.60
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
DEGS1 O15121 1/20 0.46
HSD11B1 P28845 1/20 0.46
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
FPR2 P25090 3/20 0.44
FPR1 P21462 1/20 0.44
NPY5R Q15761 1/20 0.43
EPHX2 P34913 1/20 0.42
PRKCB P05771 1/20 0.42

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
SCHEMBL13256786 0.97 CNR2 (0.60) CNR2CNR1HIF1AEPAS1DEGS1
SCHEMBL9892147 0.85 CNR2 (0.61) CNR2CNR1HSD11B1CYP2C8CYP2D6
SCHEMBL9891995 0.85 CNR2 (0.54) CNR2CNR1HIF1AEPAS1DEGS1
SCHEMBL9892153 0.83 CNR2 (0.57) CNR2CNR1HIF1AEPAS1DEGS1
SCHEMBL13257772 0.83 CNR2 (0.62) CNR2CNR1HSD11B1
SCHEMBL9892149 0.80 CNR2 (0.60) CNR2CNR1HSD11B1CYP2C8CYP2D6
SCHEMBL16238503 0.78 CNR1 (0.44) CNR2CNR1HIF1AEPAS1HSD11B1
SCHEMBL2568102 0.76 CNR2 (0.65) CNR2CNR1DEGS1CYP2C8CYP2D6
SCHEMBL9893136 0.76 CNR2 (0.65) CNR2CNR1DEGS1CYP2C8CYP2D6
SCHEMBL9893097 0.76 CNR2 (0.72) CNR2CNR1DEGS1CYP2C8CYP2D6

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 2/4885HIF1A 578/4885

“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.