SCHEMBL9891980

SCHEMBL9891980

CC(C)(C)c1nc(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)sc1C#N

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.56
CNR1 P21554 8/20 0.41
HSD11B1 P28845 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CG P48736 1/20 0.31
CTSC P53634 1/20 0.30
CASR P41180 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
SCHEMBL9891997 1.00 CNR2 (0.56) CNR2CNR1HSD11B1PIK3CDPIK3CA
SCHEMBL13285010 0.86 CNR2 (0.59) CNR2CNR1HSD11B1PIK3CDPIK3CA
SCHEMBL9891999 0.79 CNR2 (0.62) CNR2CNR1
SCHEMBL9891984 0.79 CNR2 (0.62) CNR2CNR1
SCHEMBL9891985 0.79 CNR2 (0.69) CNR2CNR1
SCHEMBL9892000 0.79 CNR2 (0.69) CNR2CNR1
SCHEMBL9891990 0.75 CNR2 (0.52) CNR2
SCHEMBL9892003 0.75 CNR2 (0.52) CNR2
SCHEMBL2576705 0.73 CNR2 (0.74) CNR2CNR1
SCHEMBL9892042 0.72 CNR2 (1.00) CNR2CNR1

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 1/4885CNR1 2/4885HSD11B1 3537/4885

“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.