SCHEMBL3533813

SCHEMBL3533813

CCCN(C)CCCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.56
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
LSS P48449 1/20 0.37
TTK P33981 2/20 0.37
MAPK8 P45983 1/20 0.37
HTR1A P08908 1/20 0.37
MTNR1A P48039 1/20 0.36
PTPN1 P18031 1/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 2/20 0.36
SIGMAR1 Q99720 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
SCHEMBL3533745 0.91 HTR6 (0.60) HTR6TTKMAPK8ACHE
SCHEMBL3534211 0.91 HTR6 (0.67) HTR6HTR1BSIGMAR1
Hydrochloric Acid SCHEMBL3528991 0.90 HTR6 (0.59) HTR6TTKMAPK8BCHEACHE
SCHEMBL3528113 0.89 HTR6 (0.55) HTR6TTKMAPK8PTPN1ACHE
SCHEMBL3532505 0.88 HTR6 (0.56) HTR6HTR1DHTR1BTTKMAPK8
Cerlapirdine SCHEMBL29375645 0.88 HTR6 (0.71) HTR6HTR1BPTPN1
Cerlapirdine SCHEMBL3534330 0.88 HTR6 (0.71) HTR6HTR1BPTPN1
Cerlapirdine SCHEMBL3531794 0.87 HTR6 (0.70) HTR6HTR1BPTPN1
SCHEMBL3531307 0.87 HTR6 (0.64) HTR6HTR1B
SCHEMBL3529039 0.86 HTR6 (0.58) HTR6TTKMAPK8PTPN1ACHE

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 HTR6 1/4885HTR1D 12/4885HTR1B 6/4885

“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.