SCHEMBL1111888

SCHEMBL1111888

c1ccc(-c2cccc(CN3CC[N]CC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.53
FAAH O00519 2/20 0.53
MGLL Q99685 1/20 0.52
SIGMAR1 Q99720 3/20 0.51
DRD2 P14416 8/20 0.51
HTR1A P08908 5/20 0.51
DRD3 P35462 3/20 0.50
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP19A1 P11511 1/20 0.49
PRMT6 Q96LA8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL10705671 0.84 ALDH1A1 (0.59) FAAHMGLLSIGMAR1HRH3
SCHEMBL3425973 0.84 CYP2D6 (0.65) DRD4FAAHSIGMAR1DRD2HTR1A
SCHEMBL41501 0.84 SIGMAR1 (0.71) DRD4SIGMAR1
SCHEMBL23440312 0.83 CYP2D6 (0.68) DRD4FAAHSIGMAR1DRD2HTR1A
SCHEMBL31612486 0.80 SIGMAR1 (0.71) DRD4FAAHSIGMAR1DRD2HTR1A
SCHEMBL21495134 0.80 MC4R (0.71) DRD4FAAHSIGMAR1DRD2HTR1A
SCHEMBL3153554 0.80 SIGMAR1 (0.71) DRD4FAAHSIGMAR1DRD2HTR1A
SCHEMBL1690875 0.80 ALDH1A1 (0.66) DRD4FAAHSIGMAR1DRD2HTR1A
SCHEMBL7498974 0.79 DRD4 (0.72) DRD4FAAHDRD2HTR1ADRD3
SCHEMBL3968717 0.78 ALDH1A1 (0.57) FAAHHRH3

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 DRD4 4515/4885FAAH 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.