SCHEMBL9891930

SCHEMBL9891930

CC(C)C(=O)Nc1cc(C(C)(C)C)nn1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.56
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
GAA P10253 1/20 0.51
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50

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
SCHEMBL1699062 0.83 MAPK14 (0.61) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL7112019 0.81 MAPK14 (0.63) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL31034603 0.80 CDK8 (0.62) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL9892358 0.80 CNR2 (0.59) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL1465671 0.80 MAPK14 (0.62) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL19669083 0.79 CDK8 (0.72) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL13282103 0.78 TSHR (0.45) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL12746805 0.78 KDM4E (0.42) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL4139014 0.77 CNR2 (0.56) MAPK14MAPTLMNAMAPK13MAPK12
SCHEMBL1620986 0.77 CNR2 (0.66) MAPK14MAPTLMNAMAPK13MAPK12

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 MAPK14 1949/4885MAPT 4057/4885LMNA 4696/4885

“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.