SCHEMBL1816451

SCHEMBL1816451

N[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3c2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.53
HTR2B P41595 13/20 0.53
DRD2 P14416 2/20 0.53
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
KHK P50053 1/20 0.43
NEK1 Q96PY6 1/20 0.39

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
SCHEMBL1815357 1.00 HTR6 (0.53) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL1813598 0.91 HTR6 (0.50) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL1815780 0.85 HTR6 (0.72) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL1814256 0.85 HTR6 (0.72) HTR6HTR2BDRD2HTR1AHTR1D
Hydrochloric Acid SCHEMBL1815906 0.84 HTR6 (0.70) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL3948503 0.83 HTR6 (0.52) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL1813250 0.82 HTR6 (0.71) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL1809391 0.82 HTR6 (0.71) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL3949533 0.81 HTR6 (0.62) HTR6HTR2BDRD2HTR1AHTR2C
SCHEMBL1816444 0.81 HTR6 (0.71) HTR6HTR2BDRD2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939520-B2 Aminoazacyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-05-10 US claimed
EP-2158195-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS Wyeth LLC (US) 2010-03-03 EP claimed
WO-2008144299-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS WYETH (US) 2008-11-27 WO claimed
US-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-27 US claimed
US-7939520-B2 Aminoazacyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-05-10 US disclosed
EP-2158195-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS Wyeth LLC (US) 2010-03-03 EP disclosed
US-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-27 US disclosed
WO-2008144299-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS WYETH (US) 2008-11-27 WO 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 (1 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-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR3B, HTR5A HTR6 1/4885HTR2B 14/4885DRD2 219/4885

“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.