SCHEMBL9893022

SCHEMBL9893022

CCC1CCC(=O)N1c1cccc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
GRM2 Q14416 1/20 0.46
TP53 P04637 1/20 0.44
PDGFRB P09619 3/20 0.43
FGFR1 P11362 3/20 0.43
KDR P35968 3/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.43
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43
RAB9A P51151 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL9893047 0.85 MEN1 (0.54) TP53RAB9ATSHRL3MBTL1ALDH1A1
SCHEMBL16480486 0.84 GAA (0.53) GAAGRM2TP53ATMHPGD
SCHEMBL9892977 0.83 PMM2 (0.43) TP53ATMHPGDPMM2MPI
SCHEMBL9108138 0.81 GAA (0.51) GAAGRM2TP53HPGDPMM2
SCHEMBL9108147 0.81 GAA (0.51) GAAGRM2TP53HPGDPMM2
SCHEMBL9891738 0.81 GAA (0.50) GAAGRM2TP53ATMHPGD
SCHEMBL1937310 0.77 DDB1 (0.41) GRM2ALDH1A1
SCHEMBL9892975 0.75 PTGER2 (0.44)
SCHEMBL9893103 0.73 NSD2 (0.45) GRM2KCNH2
SCHEMBL29181081 0.72 GAA (0.46) GAAGRM2TP53HPGDPMM2

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 GAA 4474/4885GRM2 392/4885TP53 4450/4885

“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.