SCHEMBL3554574

SCHEMBL3554574

CC(C)(C)OC(=O)N1CCC(Nc2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTR6 P50406 11/20 0.49
HTR2B P41595 4/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
ITK Q08881 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
CCR8 P51685 1/20 0.41
VCP P55072 1/20 0.40

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
SCHEMBL13168280 0.90 HTR6 (0.53) HTR6HTR2BNPC1RAB9AHTR1A
SCHEMBL3554577 0.86 HTR6 (0.43) CNR1HTR6HTR2BHTR1AHTR1D
SCHEMBL4279205 0.85 HTR6 (0.51) HTR6HTR2BHTR1AHTR1D
SCHEMBL3555577 0.81 HTR6 (0.72) HTR6HTR2BHTR1AHTR1D
SCHEMBL3951219 0.80 HTR6 (0.49) HTR6HTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL3549333 0.80 HTR6 (0.72) HTR6HTR2BHTR1AHTR1D
SCHEMBL12622502 0.78 HTR6 (0.47) HTR6HTR2BHTR1AHTR1D
SCHEMBL3947538 0.78 HTR6 (0.47) HTR6HTR2B
SCHEMBL3558777 0.77 HTR6 (0.73) HTR6HTR2BHTR1AHTR1DITK
Hydrochloric Acid SCHEMBL3549273 0.76 HTR6 (0.73) HTR6HTR2BHTR1AHTR1DITK

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 9 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 disclosed
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
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 disclosed
WO-2007032833-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-03-22 WO disclosed
WO-2007032833-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-03-22 WO 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
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
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 CNR1 49/4885ALDH1A1 1505/4885HTR6 1/4885

“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.