SCHEMBL3532415

SCHEMBL3532415

CN(C)CCc1cccc2c(S(=O)(=O)c3ccccc3)n[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
SLC6A2 P23975 3/20 0.50
HTR6 P50406 12/20 0.46
HTR1A P08908 4/20 0.46
DRD2 P14416 3/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
HTR1F P30939 3/20 0.46
HTR7 P34969 3/20 0.46
DRD3 P35462 3/20 0.46
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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 SCHEMBL3530170 0.99 HTR2A (0.49) HTR2ASLC6A2HTR6HTR1ADRD2
SCHEMBL3532382 0.84 HTR6 (0.38) HTR2ASLC6A2HTR6
SCHEMBL3536066 0.84 SLC6A2 (0.47) HTR2ASLC6A2HTR6HTR1AHTR1D
SCHEMBL3533653 0.83 HTR2A (0.51) HTR2ASLC6A2HTR6HTR1A
Hydrochloric Acid SCHEMBL3538337 0.82 SLC6A2 (0.46) HTR2ASLC6A2HTR6HTR1AHTR1D
SCHEMBL3536576 0.81 SLC6A2 (0.35) HTR2ASLC6A2HTR6HTR1ADRD2
SCHEMBL27716517 0.79 AKR1B1 (0.32) HTR2ASLC6A2HTR6
SCHEMBL3533773 0.77 SLC6A2 (0.49) HTR2ASLC6A2HTR6
SCHEMBL3531146 0.77 KMT2A (0.36)
SCHEMBL3568655 0.77 SLC6A2 (0.67) HTR2ASLC6A2HTR6HTR1ADRD2

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 10 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
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

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 HTR2A 11/4885SLC6A2 47/4885HTR6 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.