SCHEMBL3198398

SCHEMBL3198398

CNC1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3Cl)c2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.52
DRD3 P35462 4/20 0.45
DRD2 P14416 3/20 0.45
CYP3A4 P08684 1/20 0.43
MET P08581 1/20 0.40
KLK7 P49862 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
FABP4 P15090 1/20 0.36
FGFR4 P22455 1/20 0.35

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
SCHEMBL3209365 0.85 HTR6 (0.70) HTR6DRD3DRD2CYP3A4HTR2A
SCHEMBL3212926 0.84 HTR6 (0.74) HTR6CYP3A4HTR2AHTR2C
SCHEMBL5771847 0.80 HTR6 (0.57) HTR6DRD3DRD2CYP3A4ALDH1A1
SCHEMBL3198751 0.76 HTR6 (0.68) HTR6MET
SCHEMBL3188736 0.75 HTR6 (0.48) HTR6DRD3DRD2CYP3A4MET
SCHEMBL3212729 0.73 HTR6 (0.48) HTR6DRD3DRD2CYP3A4MET
SCHEMBL3213137 0.73 HTR6 (0.46) HTR6DRD3DRD2CYP3A4MET
SCHEMBL5774777 0.71 HTR6 (0.56) HTR6DRD3DRD2KLK7L3MBTL1
SCHEMBL4508580 0.70 HTR6 (0.49) HTR6DRD3DRD2FABP4
SCHEMBL14216253 0.70 HTR6 (0.72) HTR6DRD3DRD2CYP3A4ALDH1A1

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 1/4885DRD3 274/4885DRD2 142/4885
US-20050101596-A1 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-Hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885DRD3 274/4885DRD2 142/4885

“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.