SCHEMBL1111700

SCHEMBL1111700

Fc1ccc(-c2ccccc2CN2CC[N]CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.50
TACR1 P25103 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 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
SCHEMBL1111800 0.88 HTR7 (0.60) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111683 0.87 HTR7 (0.64) HTR7TACR1HRH3DRD2DRD4
SCHEMBL1111682 0.85 HTR7 (0.56) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111717 0.84 HTR7 (0.54) HTR7TACR1HRH3FAAHMGLL
SCHEMBL1111726 0.82 HTR7 (0.48) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1138323 0.82 HTR7 (0.57) HTR7TACR1HRH3DRD2DRD4
SCHEMBL32667521 0.82 HTR7 (0.57) HTR7TACR1HRH3DRD2DRD4
SCHEMBL1111672 0.81 HRH3 (0.51) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111771 0.81 HTR7 (0.64) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111739 0.81 KDM4E (0.47) HTR7DRD2ALDH1A1L3MBTL1MAPT

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 2134/4885TACR1 4473/4885HRH3 3879/4885

“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.