SCHEMBL9891985

SCHEMBL9891985

CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.69
ATAD2 Q6PL18 1/20 0.49
GCK P35557 1/20 0.48
CNR1 P21554 3/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CFD P00746 1/20 0.38

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
SCHEMBL9892000 1.00 CNR2 (0.69) CNR2ATAD2GCKCNR1NPC1
SCHEMBL13284933 0.84 CNR2 (0.64) CNR2ATAD2GCKCNR1NPC1
SCHEMBL2573574 0.84 CNR2 (0.64) CNR2ATAD2GCKCNR1NPC1
SCHEMBL13256783 0.83 CNR2 (0.65) CNR2ATAD2GCKCNR1NPC1
SCHEMBL9891987 0.83 CNR2 (0.52) CNR2GCKCNR1RAB9A
SCHEMBL9893021 0.83 CNR2 (0.52) CNR2GCKCNR1RAB9A
SCHEMBL9892135 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL9892042 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL9891999 0.81 CNR2 (0.62) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL9891984 0.81 CNR2 (0.62) CNR2CNR1MEN1KMT2AMAPT

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 1/4885ATAD2 2417/4885GCK 3603/4885

“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.