SCHEMBL13201493

SCHEMBL13201493

C#CC(CN1CCc2ccc(OC)cc2C1=O)(NC(=O)OC)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TNF P01375 2/20 0.38
EZH2 Q15910 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
PARP1 P09874 1/20 0.36
AOC3 Q16853 4/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
P2RX3 P56373 1/20 0.36
ADAM17 P78536 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD1 P21728 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL8227926 0.92 AOC3 (0.44) ITGB3ITGA2BAOC3
SCHEMBL13201367 0.90 ADAM17 (0.43) TNFADAM17
SCHEMBL5955645 0.90 ADAM17 (0.43) TNFADAM17
SCHEMBL13201492 0.87 DRD2 (0.41) DRD2DRD4ITGB3ITGA2BTNF
SCHEMBL13201500 0.83 ADAM17 (0.41) DRD2DRD4ITGB3ITGA2BTNF
SCHEMBL10112007 0.82 ADAM17 (0.43) TNFADAM17
SCHEMBL16311333 0.82 ADAM17 (0.43) TNFADAM17
SCHEMBL13201491 0.81 TNF (0.55) DRD2DRD4TNFADAM17HTR2C
SCHEMBL13201451 0.81 TNF (0.35) TNFADAM17
SCHEMBL13201489 0.80 AOC3 (0.40) ITGB3ITGA2BAOC3

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 6 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-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 DRD2 4859/4885DRD4 4855/4885ITGB3 1884/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 DRD2 4859/4885DRD4 4855/4885ITGB3 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.