SCHEMBL1111800

SCHEMBL1111800

c1ccc(-c2ccc(-c3ccccc3CN3CC[N]CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.60
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
BACE1 P56817 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
DHODH Q02127 2/20 0.43
DPP4 P27487 1/20 0.42

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
SCHEMBL1111683 0.97 HTR7 (0.64) HTR7FAAHMGLLDRD2DRD4
SCHEMBL1111700 0.88 HTR7 (0.50) HTR7FAAHMGLLDRD2DRD4
SCHEMBL1111682 0.88 HTR7 (0.56) HTR7FAAHMGLLDRD2DRD4
SCHEMBL1111672 0.87 HRH3 (0.51) HTR7FAAHMGLLDRD2DRD4
SCHEMBL1111726 0.85 HTR7 (0.48) HTR7FAAHMGLLDRD2DRD4
SCHEMBL28230641 0.84 HTR7 (0.80) HTR7FAAHMGLLDRD2DRD4
SCHEMBL1111771 0.84 HTR7 (0.64) HTR7DRD2DRD4DRD3HRH3
SCHEMBL1111717 0.84 HTR7 (0.54) HTR7FAAHMGLLHRH3
SCHEMBL1111791 0.84 ATM (0.50) HTR7FAAHMGLLDRD2DRD4
SCHEMBL1111765 0.82 HTR7 (0.44) HTR7FAAHMGLLHRH3DHODH

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 2134/4885FAAH 2163/4885MGLL 3281/4885

“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.