SCHEMBL1111771

SCHEMBL1111771

COc1ccc(-c2ccccc2CN2CC[N]CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.64
HRH3 Q9Y5N1 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
F10 P00742 5/20 0.48
SIGMAR1 Q99720 1/20 0.47
F2 P00734 2/20 0.46
CTRB1 P17538 2/20 0.46
PROC P04070 1/20 0.46
NPBWR1 P48145 1/20 0.45
HTR1A P08908 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
SCHEMBL1111672 0.86 HRH3 (0.51) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111716 0.85 HTR7 (0.66) HTR7DRD2DRD4DRD3SIGMAR1
SCHEMBL1111800 0.84 HTR7 (0.60) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111683 0.84 HTR7 (0.64) HTR7HRH3DRD2DRD4DRD3
SCHEMBL28792722 0.83 HTR7 (0.64) HTR7HRH3DRD2DRD4DRD3
SCHEMBL7098958 0.83 HTR7 (0.64) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111761 0.83 HRH3 (0.48) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111726 0.82 HTR7 (0.48) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111682 0.81 HTR7 (0.56) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111700 0.81 HTR7 (0.50) HTR7HRH3DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO 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 (1 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 HTR7 2134/4885HRH3 3879/4885DRD2 4637/4885

“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.