SCHEMBL9892004

SCHEMBL9892004

CC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@H](O)CN2CC2CCOCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
HSD11B1 P28845 1/20 0.41
CNR1 P21554 2/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
BRD4 O60885 1/20 0.34
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
ALDH1A1 P00352 1/20 0.31
FPR3 P25089 1/20 0.31
GBA1 P04062 1/20 0.31
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PIK3CD O00329 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
SCHEMBL9891991 1.00 CNR2 (0.54) CNR2HSD11B1CNR1EPHX1EPHX2
SCHEMBL13285026 0.82 HSD11B1 (0.58) CNR2HSD11B1CNR1EPHX1EPHX2
SCHEMBL9891981 0.78 CNR2 (0.47) CNR2HSD11B1CNR1BRD4ALDH1A1
SCHEMBL9891998 0.78 CNR2 (0.47) CNR2HSD11B1CNR1BRD4ALDH1A1
SCHEMBL9891988 0.76 CNR2 (0.54) CNR2HSD11B1CNR1EPHX2BRD4
SCHEMBL3701885 0.74 CNR2 (0.50) CNR2HSD11B1CNR1GBA1KDM4E
SCHEMBL3709792 0.74 CNR2 (0.50) CNR2HSD11B1CNR1GBA1KDM4E
SCHEMBL13285024 0.73 CNR2 (0.52) CNR2HSD11B1CNR1
SCHEMBL9892002 0.73 CNR2 (0.51) CNR2HSD11B1CNR1EPHX1EPHX2
SCHEMBL9891989 0.73 CNR2 (0.51) CNR2HSD11B1CNR1EPHX1EPHX2

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 1/4885HSD11B1 3537/4885CNR1 2/4885

“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.