SCHEMBL3213137

SCHEMBL3213137

CN(C)C1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3Cl)c2O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.46
CYP3A4 P08684 1/20 0.42
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
MET P08581 1/20 0.39
KLK7 P49862 1/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL3198981 0.85 HTR6 (0.62) HTR6CYP3A4HTR2ADRD3DRD2
SCHEMBL3212926 0.79 HTR6 (0.74) HTR6CYP3A4HTR2AHTR2C
SCHEMBL3212729 0.79 HTR6 (0.48) HTR6CYP3A4HTR2AHTR2CMET
SCHEMBL3188736 0.78 HTR6 (0.48) HTR6CYP3A4HTR2AHTR2CMET
SCHEMBL3205536 0.76 MET (0.47) HTR6CYP3A4HTR2AHTR2CMET
SCHEMBL3198398 0.73 HTR6 (0.52) HTR6CYP3A4HTR2AHTR2CMET
SCHEMBL3198751 0.71 HTR6 (0.68) HTR6MET
SCHEMBL3617622 0.65 HTR6 (0.51) HTR6CYP3A4METKLK7DRD3
SCHEMBL3212985 0.65 HTR6 (0.62) HTR6CYP3A4HTR2AKLK7DRD3
SCHEMBL2001390 0.64 HTR6 (0.50) HTR6CYP3A4HTR2AHTR2CMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671079-B2 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-03-02 US claimed
US-7288561-B2 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-30 US claimed
EP-1682502-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-07-26 EP claimed
WO-2005047252-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-05-26 WO claimed
US-20050101596-A1 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-Hydroxytryptamine-6 ligands WYETH (US) 2005-05-12 US claimed
US-7671079-B2 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-03-02 US disclosed
US-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-04-10 US disclosed
US-7288561-B2 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-30 US disclosed
EP-1682502-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-07-26 EP disclosed
WO-2005047252-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-05-26 WO disclosed
US-20050101596-A1 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-Hydroxytryptamine-6 ligands WYETH (US) 2005-05-12 US 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 (2 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-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885CYP3A4 1047/4885HTR2A 6/4885
US-20050101596-A1 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-Hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885CYP3A4 1047/4885HTR2A 6/4885

“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.