SCHEMBL9891986

SCHEMBL9891986

CCc1ccnc(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.57
CNR1 P21554 3/20 0.44
CCR3 P51677 1/20 0.40
CDK9 P50750 2/20 0.39
MAPK14 Q16539 5/20 0.38
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
SLC5A1 P13866 1/20 0.38
BRAF P15056 1/20 0.38
RIPK3 Q9Y572 2/20 0.38
RIOK2 Q9BVS4 1/20 0.37
PIP5K1C O60331 1/20 0.37
TYK2 P29597 1/20 0.36

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
SCHEMBL13285314 0.85 CNR2 (0.62) CNR2CNR1CCR3CDK9MAPK14
SCHEMBL9891996 0.84 CNR2 (0.56) CNR2CNR1CDK9MAPK14MAPK8
SCHEMBL2576705 0.77 CNR2 (0.74) CNR2CNR1
SCHEMBL9891995 0.76 CNR2 (0.54) CNR2CNR1
SCHEMBL9891993 0.74 CNR2 (0.73) CNR2CNR1
SCHEMBL9892061 0.73 CNR2 (0.51) CNR2CNR1TYK2
SCHEMBL9892042 0.72 CNR2 (1.00) CNR2CNR1
SCHEMBL9892135 0.72 CNR2 (1.00) CNR2CNR1
SCHEMBL9892051 0.72 ALDH1A1 (0.54) CNR2
SCHEMBL14273251 0.72 BRAF (0.61) CDK9MAPK14BRAFRIOK2TYK2

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 2/4885CCR3 217/4885

“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.