SCHEMBL1111761

SCHEMBL1111761

FC(F)(F)Oc1ccc(-c2ccccc2CN2CC[N]CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
HTR7 P34969 7/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MC4R P32245 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
F10 P00742 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL1111771 0.83 HTR7 (0.64) HRH3HTR7F10DRD2DRD4
SCHEMBL1111672 0.83 HRH3 (0.51) HRH3HTR7ALDH1A1DRD2DRD4
SCHEMBL1111717 0.83 HTR7 (0.54) HRH3HTR7ALDH1A1MC4ROPRM1
SCHEMBL1111700 0.81 HTR7 (0.50) HRH3HTR7ALDH1A1DRD2DRD4
SCHEMBL1111800 0.81 HTR7 (0.60) HRH3HTR7BACE1DRD2DRD4
SCHEMBL1111683 0.80 HTR7 (0.64) HRH3HTR7BACE1DRD2DRD4
SCHEMBL2095321 0.78 SLC6A3 (0.49) HCRTR1HCRTR2DRD2
SCHEMBL1111682 0.78 HTR7 (0.56) HRH3HTR7ALDH1A1DRD2DRD4
SCHEMBL2089924 0.78 ALDH1A1 (0.68) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL1540978 0.76 HTR7 (0.53) HRH3HTR7F10DRD2DRD4

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 HRH3 3879/4885HTR7 2134/4885FFAR1 4545/4885

“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.