SCHEMBL9108329

SCHEMBL9108329

O=C1CC(C(=O)O)N(C(=O)C2CCC(F)(F)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
CNR2 P34972 1/20 0.35
GRM5 P41594 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RORC P51449 1/20 0.32
HCRTR2 O43614 1/20 0.32
CDC25B P30305 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 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
SCHEMBL9107204 1.00 HSD11B1 (0.39) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL16480384 0.81 HSD11B1 (0.40) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL9891869 0.77 CNR2 (0.38) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL9893039 0.77 HSD11B1 (0.38) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL3434949 0.76 CNR2 (0.40) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL3434946 0.76 CNR2 (0.40) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL3703295 0.74 ACE (0.50) CNR2
SCHEMBL3787525 0.74 CNR2 (0.34) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL3787520 0.74 CNR2 (0.34) HSD11B1CNR2GRM5NR1H2NR1H3
SCHEMBL3703294 0.74 ACE (0.50) CNR2

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 2 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

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 HSD11B1 3537/4885CNR2 1/4885GRM5 210/4885

“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.