SCHEMBL4490117

SCHEMBL4490117

COC(=O)c1ccc(C#CC(C)(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
GRM5 P41594 2/20 0.44
CHRM2 P08172 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL31044611 0.83 MAPK1 (0.57) MAPK1GRM5CHRM2SIGMAR1EGLN1
SCHEMBL16011728 0.83 MAPK1 (0.57) MAPK1GRM5CHRM2SIGMAR1EGLN1
SCHEMBL4495255 0.83 EGLN1 (0.46) MAPK1GRM5CHRM2SIGMAR1EGLN1
SCHEMBL155925 0.80 MAPK1 (0.54) MAPK1GRM5CHRM2SIGMAR1KDM4E
SCHEMBL31044569 0.80 MAPK1 (0.54) MAPK1GRM5CHRM2SIGMAR1KDM4E
SCHEMBL15494738 0.79 MAPK1 (0.53) MAPK1GRM5CHRM2SIGMAR1KDM4E
SCHEMBL22134763 0.79 MAPK1 (0.53) MAPK1GRM5CHRM2SIGMAR1KDM4E
SCHEMBL15494739 0.78 MAPK1 (0.51) MAPK1GRM5CHRM2SIGMAR1KDM4E
SCHEMBL2109394 0.78 MAPK1 (0.51) MAPK1GRM5CHRM2SIGMAR1EGLN1
SCHEMBL159424 0.78 MAPK1 (0.59) MAPK1GRM5CHRM2SIGMAR1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (2 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 MAPK1 1367/4885GRM5 278/4885CHRM2 914/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 MAPK1 1367/4885GRM5 278/4885CHRM2 914/4885

“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.