SCHEMBL3205539

SCHEMBL3205539

NC1CCc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2C1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.71
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
HTR1A P08908 2/20 0.47
HTR2A P28223 1/20 0.47
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL5739463 0.92 HTR6 (0.61) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5738248 0.88 HTR6 (0.59) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL14216253 0.85 HTR6 (0.72) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL3209365 0.83 HTR6 (0.70) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL3205572 0.83 HTR6 (1.00) HTR6DRD2DRD3HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL5737813 0.83 HTR6 (0.53) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL3198440 0.73 HTR6 (0.66) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5771847 0.73 HTR6 (0.57) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL13422076 0.73 HTR6 (0.82) HTR6HTR1DHTR1B
SCHEMBL5774777 0.72 HTR6 (0.56) HTR6DRD2DRD3HTR1AHTR2A

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

“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.