SCHEMBL4494307

SCHEMBL4494307

O=S(=O)(c1cccc(F)c1)c1n[nH]c2c(N3CCNCC3)ccnc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.58
HTR1A P08908 4/20 0.46
HTR7 P34969 4/20 0.46
DRD2 P14416 3/20 0.46
HTR2A P28223 5/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
NCF1 P14598 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 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
SCHEMBL4485300 0.87 HTR6 (0.65) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3951001 0.86 HTR6 (0.64) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4482268 0.82 HTR6 (0.56) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4475099 0.82 HTR6 (0.58) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4479098 0.78 HTR6 (0.53) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3949862 0.77 HTR6 (0.51) HTR6HTR2A
SCHEMBL3957473 0.75 HTR6 (0.66) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3955819 0.74 HTR6 (0.49) HTR6HTR1AHTR7DRD2HTR2A
Phosphoric Acid SCHEMBL3622376 0.74 HTR6 (0.54) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3953147 0.74 HTR6 (0.56) HTR6HTR1AHTR7DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US claimed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US claimed
JP-2006517966-A 2006-08-03 JP claimed
EP-1592690-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-11-09 EP claimed
WO-2004074286-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-09-02 WO claimed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 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-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR1A 6/4885HTR7 10/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR1A 6/4885HTR7 10/4885

“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.