SCHEMBL13201488

SCHEMBL13201488

COc1ccc2c(c1)CCN(CBr)C2=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
DRD3 P35462 4/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
AOC3 Q16853 6/20 0.47
DRD1 P21728 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MPO P05164 1/20 0.44

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
SCHEMBL13201494 0.89 DRD2 (0.57) DRD3DRD2DRD4DRD1
SCHEMBL29438671 0.87 PRMT5 (0.51) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL471627 0.87 PRMT5 (0.51) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL25899235 0.85 GRM5 (0.58) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL7125843 0.83 AOC3 (0.53) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL3655756 0.83 PRMT5 (0.53) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL7788827 0.82 ITGB3 (0.69) ITGB3ITGA2BAOC3
SCHEMBL3655326 0.82 PRMT5 (0.50) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL380250 0.81 DRD3 (0.53) PRMT5WDR77ITGB3ITGA2BDRD3
SCHEMBL22713731 0.81 AOC3 (0.68) PRMT5WDR77ITGB3ITGA2BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 PRMT5 3292/4885WDR77 4635/4885ITGB3 1884/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 PRMT5 3292/4885WDR77 4635/4885ITGB3 1884/4885

“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.