SCHEMBL3533331

SCHEMBL3533331

CN(C)CCCc1ccc2[nH]nc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
PARP1 P09874 1/20 0.39
HTR6 P50406 6/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TTK P33981 2/20 0.37
SFRP1 Q8N474 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL3531911 0.93 HTR6 (0.44) HTR6SLC6A2HTR2ATTK
Trifluoroacetic Acid SCHEMBL3537153 0.92 CACNA1B (0.38) SIGMAR1PARP1SLC6A2HTR2AL3MBTL1
Hydrochloric Acid SCHEMBL3535087 0.92 HTR6 (0.44) HTR6SLC6A2HTR2ATTK
SCHEMBL3532498 0.85 HTR6 (0.44) HTR6SLC6A2TTKMAOAMAOB
SCHEMBL3529918 0.85 TTK (0.39) HTR6TTKMAOAMAOB
SCHEMBL3536756 0.84 HTR6 (0.53) HTR6HTR2A
SCHEMBL3532214 0.84 HTR6 (0.43) HTR6SLC6A2TTKMAOAMAOB
SCHEMBL3531978 0.84 CA2 (0.41) HTR6SLC6A2TTKMAOAMAOB
Hydrochloric Acid SCHEMBL3531180 0.83 HTR6 (0.54) HTR6HTR2A
Hydrochloric Acid SCHEMBL3530580 0.83 HTR6 (0.42) HTR6TTKMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP claimed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO claimed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US claimed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A SIGMAR1 61/4885PARP1 3736/4885HTR6 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.