SCHEMBL3552069

SCHEMBL3552069

O=C(Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.72
HTR2B P41595 5/20 0.72
HTR1A P08908 3/20 0.72
HTR1D P28221 2/20 0.72
ULK1 O75385 6/20 0.65
HTR7 P34969 1/20 0.57
ITK Q08881 1/20 0.49

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
Hydrochloric Acid SCHEMBL3555573 0.99 HTR6 (0.73) HTR6HTR2BHTR1AHTR1DULK1
SCHEMBL3550828 0.93 HTR6 (0.71) HTR6HTR2BHTR1AHTR1DULK1
Hydrochloric Acid SCHEMBL3554663 0.92 HTR6 (0.71) HTR6HTR2BHTR1AHTR1DULK1
SCHEMBL3555577 0.86 HTR6 (0.72) HTR6HTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL3549333 0.85 HTR6 (0.72) HTR6HTR2BHTR1AHTR1D
SCHEMBL13168280 0.85 HTR6 (0.53) HTR6HTR2BHTR1AHTR1DULK1
SCHEMBL3555588 0.83 HTR6 (0.72) HTR6HTR2BHTR1AHTR1D
SCHEMBL3553846 0.83 HTR6 (0.70) HTR6HTR2BHTR1AHTR1DULK1
Hydrochloric Acid SCHEMBL3548338 0.82 HTR6 (0.73) HTR6HTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL3553104 0.82 HTR6 (0.70) HTR6HTR2BHTR1AHTR1DULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US claimed
EP-1915348-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-04-30 EP claimed
WO-2007032833-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-03-22 WO claimed
US-20070054896-A1 Serotonin (5-HT6) receptor ligands such as 3-(1-naphthylsulfonyl)-5-(piperidin-4-yloxy)-1H-indazole, used for the treatment nervous sytem disorders such as attention deficit disorder, anxiety, epilepsy, depression, schizophrenia, obsessive compulsive, sleep, eating and neurodegenerative disorders WYETH (US) 2007-03-08 US claimed
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
US-20070054896-A1 Serotonin (5-HT6) receptor ligands such as 3-(1-naphthylsulfonyl)-5-(piperidin-4-yloxy)-1H-indazole, used for the treatment nervous sytem disorders such as attention deficit disorder, anxiety, epilepsy, depression, schizophrenia, obsessive compulsive, sleep, eating and neurodegenerative disorders WYETH (US) 2007-03-08 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 (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-20070054896-A1 Serotonin (5-HT6) receptor ligands such as 3-(1-naphthylsulfonyl)-5-(piperidin-4-yloxy)-1H-indazole, used for the treatment nervous sytem disorders such as attention deficit disorder, anxiety, epilepsy, depression, schizophrenia, obsessive compulsive, sleep, eating and neurodegenerative disorders HTR6, HTR1A, HTR3B 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.