SCHEMBL13201495

SCHEMBL13201495

COc1ccc2c(c1)C(=O)N(COC(=O)C(C)(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
ADAM17 P78536 6/20 0.46
P2RX3 P56373 1/20 0.42
DRD3 P35462 3/20 0.42
DRD1 P21728 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
EZH2 Q15910 1/20 0.41
TNF P01375 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL13201490 0.91 PRMT5 (0.48) DRD2DRD3DRD1ITGB3ITGA2B
SCHEMBL5955539 0.88 ADAM17 (0.53) ADAM17TNF
SCHEMBL10113044 0.81 ADAM17 (0.47) ADAM17TNF
SCHEMBL24892629 0.79 DRD2 (0.58) DRD2DRD4ADAM17P2RX3DRD3
SCHEMBL13201494 0.77 DRD2 (0.57) DRD2DRD4ADAM17P2RX3DRD3
SCHEMBL13201450 0.76 ADAM17 (0.43) ADAM17EZH2TNF
SCHEMBL10201451 0.73 DRD2 (0.36) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL13218930 0.73 ADAM17 (0.41) ADAM17ESR2
SCHEMBL10200126 0.73 KMT2A (0.42) ADAM17
SCHEMBL13201493 0.72 DRD2 (0.43) DRD2DRD4ADAM17P2RX3DRD3

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 DRD2 4859/4885DRD4 4855/4885ADAM17 13/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 DRD2 4859/4885DRD4 4855/4885ADAM17 13/4885

“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.