SCHEMBL9893039

SCHEMBL9893039

CCC1CC(=O)CN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
CNR2 P34972 1/20 0.34
HCRTR2 O43614 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
GRM5 P41594 1/20 0.30
MAPT P10636 1/20 0.30
NAMPT P43490 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
SCHEMBL16480384 0.81 HSD11B1 (0.40) HSD11B1CNR2HCRTR2NR1H2NR1H3
SCHEMBL9892937 0.78 HSD11B1 (0.39) HSD11B1CNR2HCRTR2NR1H2NR1H3
SCHEMBL9891869 0.78 CNR2 (0.38) HSD11B1CNR2HCRTR2NR1H2NR1H3
SCHEMBL9107204 0.77 HSD11B1 (0.39) HSD11B1CNR2HCRTR2NR1H2NR1H3
SCHEMBL9108329 0.77 HSD11B1 (0.39) HSD11B1CNR2HCRTR2NR1H2NR1H3
SCHEMBL9893108 0.77 HSD11B1 (0.36) HSD11B1CNR2HCRTR2NR1H2NR1H3
SCHEMBL9892998 0.73 PIK3CD (0.42) HSD11B1CNR2NR1H2NR1H3DPP4
SCHEMBL9893119 0.73 PIK3CD (0.42) HSD11B1CNR2NR1H2NR1H3DPP4
SCHEMBL25569896 0.66 ATM (0.37) HSD11B1NR1H2
SCHEMBL9893109 0.64 CNR2 (0.45) HSD11B1CNR2HCRTR2NR1H2NR1H3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885HCRTR2 142/4885

“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.