SCHEMBL9892147

SCHEMBL9892147

O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1CCCN1CC1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.61
CNR1 P21554 8/20 0.61
USP30 Q70CQ3 1/20 0.47
HSD11B1 P28845 1/20 0.45
MAP3K12 Q12852 5/20 0.45
CDK9 P50750 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPK14 Q16539 1/20 0.42
RIPK3 Q9Y572 1/20 0.41

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
SCHEMBL13257772 0.97 CNR2 (0.62) CNR2CNR1USP30HSD11B1MAP3K12
SCHEMBL9892166 0.85 CNR2 (0.60) CNR2CNR1HSD11B1CYP2C8CYP2D6
SCHEMBL9891996 0.85 CNR2 (0.56) CNR2CNR1USP30MAP3K12CDK9
SCHEMBL13285314 0.83 CNR2 (0.62) CNR2CNR1HSD11B1CDK9MAPK8
SCHEMBL9892154 0.83 CNR2 (0.58) CNR2CNR1USP30MAP3K12CYP2C8
SCHEMBL13256786 0.83 CNR2 (0.60) CNR2CNR1HSD11B1CYP2C8CYP2D6
SCHEMBL9892149 0.80 CNR2 (0.60) CNR2CNR1HSD11B1CYP2C8CYP2D6
SCHEMBL16238801 0.78 CNR2 (0.46) CNR2CNR1HSD11B1MAP3K12
SCHEMBL13284549 0.77 CNR2 (0.63) CNR2CNR1HSD11B1CYP2C8CYP2C19
SCHEMBL9892091 0.76 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19

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 2/4885USP30 3438/4885

“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.