SCHEMBL3953010

SCHEMBL3953010

O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(N3CCCNCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.64
HTR2B P41595 10/20 0.64
HTR1A P08908 3/20 0.64
HTR7 P34969 2/20 0.64
DRD2 P14416 6/20 0.61
HTR2C P28335 4/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61

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
SCHEMBL3078215 0.96 HTR6 (0.69) HTR6HTR2BHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4280723 0.95 HTR6 (0.68) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL14037408 0.92 HTR6 (0.57) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL8427699 0.88 HTR6 (0.68) HTR6HTR2BHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL3954843 0.87 HTR6 (0.67) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3324432 0.85 HTR6 (0.70) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3951523 0.85 HTR6 (0.58) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL1813748 0.83 HTR6 (0.71) HTR6HTR2BHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL1816016 0.82 HTR6 (0.69) HTR6HTR2BHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL3549339 0.82 HTR6 (0.69) HTR6HTR2BHTR1AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 US claimed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-10-08 US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 US disclosed
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 US disclosed
US-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 US disclosed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles 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 (3 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-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR2C, HTR3B HTR6 1/4885HTR2B 14/4885HTR1A 6/4885
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR2C, HTR3B HTR6 1/4885HTR2B 14/4885HTR1A 6/4885
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C HTR6 1/4885HTR2B 16/4885HTR1A 2/4885

“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.