SCHEMBL3534472

SCHEMBL3534472

O=S(=O)(c1cccc2ccccc12)c1nn(Cc2ccccc2)c2ccc(OCCN3CCCC3)cc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.62
HTR2B P41595 4/20 0.60
DRD2 P14416 3/20 0.60
HTR2C P28335 3/20 0.60
HRH3 Q9Y5N1 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
LTA4H P09960 1/20 0.43
GCGR P47871 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL3531961 0.94 HTR6 (0.56) HTR6HTR2BDRD2HTR2CHRH3
SCHEMBL3531918 0.87 HTR6 (0.59) HTR6HTR2BDRD2HTR2CHRH3
SCHEMBL3538468 0.86 HTR6 (0.59) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3530834 0.85 HTR6 (0.58) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3528217 0.84 HTR6 (0.59) HTR6HTR2BDRD2HTR2CHRH3
SCHEMBL3529973 0.84 HTR6 (0.59) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3529978 0.84 HTR6 (0.57) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3536933 0.83 HTR6 (0.58) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3532145 0.83 HTR6 (0.58) HTR6HTR2BDRD2HTR2CHRH3
SCHEMBL3530831 0.83 HTR6 (0.58) HTR6HTR2BDRD2HTR2CHTR1A

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 7 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 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
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 HTR6 1/4885HTR2B 22/4885DRD2 117/4885

“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.