SCHEMBL3709792

SCHEMBL3709792

O=C(O)[C@@H]1C[C@H](O)CN1CC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.50
HSD11B1 P28845 1/20 0.40
GBA1 P04062 2/20 0.40
ATM Q13315 1/20 0.40
PIK3CD O00329 1/20 0.35
GRM2 Q14416 1/20 0.35
CNR1 P21554 2/20 0.33
FEN1 P39748 1/20 0.33
TACR2 P21452 1/20 0.33
MME P08473 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3701885 1.00 CNR2 (0.50) CNR2HSD11B1GBA1ATMPIK3CD
SCHEMBL13285011 0.86 CNR2 (0.49) CNR2HSD11B1GBA1PIK3CDGRM2
SCHEMBL9891988 0.79 CNR2 (0.54) CNR2HSD11B1GBA1CNR1
SCHEMBL3427328 0.77 GBA1 (0.47) CNR2HSD11B1GBA1GRM2CNR1
SCHEMBL3427330 0.77 GBA1 (0.47) CNR2HSD11B1GBA1GRM2CNR1
SCHEMBL2568082 0.76 CNR2 (0.42) CNR2HSD11B1GBA1GRM2CNR1
SCHEMBL16480434 0.76 GBA1 (0.43) CNR2HSD11B1GBA1PIK3CDCNR1
SCHEMBL13284755 0.76 GBA1 (0.43) CNR2HSD11B1GBA1PIK3CDCNR1
SCHEMBL9891989 0.76 CNR2 (0.51) CNR2HSD11B1CNR1KDM4E
SCHEMBL9892002 0.76 CNR2 (0.51) CNR2HSD11B1CNR1KDM4E

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 3 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-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 1/4885HSD11B1 3537/4885GBA1 3004/4885

“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.