SCHEMBL3535815

SCHEMBL3535815

CNCCOc1cc(F)cc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A4 P31645 3/20 0.41
HRH1 P35367 1/20 0.41
HTR6 P50406 15/20 0.39
AKR1B1 P15121 1/20 0.36
SLC6A2 P23975 1/20 0.36

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 SCHEMBL3532656 0.99 HTR1D (0.44) HTR1DHTR1BSLC6A4HRH1HTR6
SCHEMBL3531881 0.91 HTR1B (0.47) HTR1BHTR6AKR1B1
SCHEMBL3534950 0.88 HTR1B (0.53) HTR1DHTR1BSLC6A4HRH1HTR6
SCHEMBL3535553 0.88 HTR1D (0.44) HTR1DHTR1BSLC6A4HRH1HTR6
SCHEMBL3532631 0.87 HTR6 (0.39) HTR1DHTR1BHTR6AKR1B1
SCHEMBL3532929 0.87 HTR6 (0.49) HTR1BHTR6AKR1B1
SCHEMBL3535820 0.87 HTR6 (0.43) HTR1BHTR6AKR1B1
SCHEMBL3531185 0.86 HTR6 (0.43) HTR1DHTR1BHTR6AKR1B1
Hydrochloric Acid SCHEMBL3532662 0.86 HTR6 (0.43) HTR1BHTR6AKR1B1
SCHEMBL3533040 0.85 SLC6A4 (0.54) HTR1DHTR1BSLC6A4HRH1HTR6

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed
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
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
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 HTR1D 12/4885HTR1B 6/4885SLC6A4 42/4885

“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.