SCHEMBL13201494

SCHEMBL13201494

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD4 P21917 1/20 0.57
ADAM17 P78536 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TNF P01375 1/20 0.46
DRD3 P35462 3/20 0.46
DRD1 P21728 1/20 0.46
ACHE P22303 1/20 0.46
P2RX3 P56373 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13201488 0.89 PRMT5 (0.50) DRD2DRD4DRD3DRD1
SCHEMBL24892629 0.87 DRD2 (0.58) DRD2DRD4ADAM17HTR2AHTR2C
SCHEMBL5955654 0.85 ADAM17 (0.58) ADAM17TNFKDM4EALDH1A1CYP1A2
SCHEMBL1036238 0.79 MEN1 (0.62) DRD2DRD4DRD3DRD1
SCHEMBL31438780 0.79 MEN1 (0.62) DRD2DRD4DRD3DRD1
SCHEMBL13201495 0.77 DRD2 (0.49) DRD2DRD4ADAM17HTR2AHTR2C
SCHEMBL18586068 0.77 GAA (0.51) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL10113050 0.76 ADAM17 (0.49) ADAM17TNF
SCHEMBL21142435 0.76 PRMT5 (0.49) DRD2DRD4ADAM17DRD3
SCHEMBL9144146 0.76 TNF (0.57) DRD2DRD4ADAM17TNFKDM4E

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.