SCHEMBL9891738

SCHEMBL9891738

COC(=O)c1cccc(N2C(=O)CCC2C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.44
HPGD P15428 3/20 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
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GRM2 Q14416 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 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
SCHEMBL16480486 0.84 GAA (0.53) GAATP53HPGDPMM2MPI
SCHEMBL9891742 0.83 PMM2 (0.43) TP53HPGDPMM2MPIPHOSPHO1
SCHEMBL9108147 0.81 GAA (0.51) GAATP53HPGDPMM2MPI
SCHEMBL9108138 0.81 GAA (0.51) GAATP53HPGDPMM2MPI
SCHEMBL9893022 0.81 GAA (0.50) GAATP53HPGDPMM2MPI
SCHEMBL2577547 0.74 CNR2 (0.68) CYP2D6CYP2C19
SCHEMBL9891737 0.73 NSD2 (0.45) GRM2
SCHEMBL9891740 0.72 HDAC6 (0.42) TP53HPGDRAB9ATSHRCYP2C19
SCHEMBL24717003 0.70 HDAC1 (0.40) TSHRCYP2C19
SCHEMBL10145134 0.70 GAA (0.54) GAATP53HPGDPMM2MPI

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 GAA 4474/4885TP53 4450/4885HPGD 601/4885

“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.