SCHEMBL9891989

SCHEMBL9891989

O=C(NCCC1CCCCC1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
HSD11B1 P28845 1/20 0.40
CNR1 P21554 2/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRM4 P08173 5/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM5 P08912 3/20 0.35
EPHX2 P34913 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL9892002 1.00 CNR2 (0.51) CNR2HSD11B1CNR1EPHX1KDM4E
SCHEMBL9891988 0.95 CNR2 (0.54) CNR2HSD11B1CNR1CHRM4CHRM2
SCHEMBL13285022 0.82 HSD11B1 (0.56) CNR2HSD11B1CNR1EPHX1KDM4E
SCHEMBL13285021 0.78 HSD11B1 (0.59) CNR2HSD11B1CNR1KDM4ECHRM4
SCHEMBL3701885 0.76 CNR2 (0.50) CNR2HSD11B1CNR1KDM4E
SCHEMBL3709792 0.76 CNR2 (0.50) CNR2HSD11B1CNR1KDM4E
SCHEMBL13285011 0.74 CNR2 (0.49) CNR2HSD11B1CNR1
SCHEMBL9891991 0.73 CNR2 (0.54) CNR2HSD11B1CNR1EPHX1KDM4E
SCHEMBL9892004 0.73 CNR2 (0.54) CNR2HSD11B1CNR1EPHX1KDM4E
SCHEMBL9893021 0.71 CNR2 (0.52) CNR2HSD11B1CNR1

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 4 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

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.