SCHEMBL3534246

SCHEMBL3534246

COc1cc(OCCN2CCCC2)c2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.42
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GCGR P47871 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL3536811 0.99 HTR6 (0.43) HTR6ADRA1AADRA1BESR1ESR2
SCHEMBL3532243 0.88 HTR6 (0.49) HTR6ESR1ESR2TDP1HRH3
SCHEMBL3531145 0.87 HTR6 (0.48) HTR6TDP1GCGRHRH3HTR2A
SCHEMBL3535732 0.87 HTR6 (0.48) HTR6ESR1ESR2TDP1HRH3
SCHEMBL3535542 0.86 HTR6 (0.48) HTR6TDP1GCGRHRH3HTR2A
SCHEMBL3531217 0.86 HTR6 (0.44) HTR6HTR2AHTR7
SCHEMBL3535557 0.85 HTR6 (0.45) HTR6
SCHEMBL3535553 0.84 HTR1D (0.44) HTR6
Hydrochloric Acid SCHEMBL3536259 0.84 HTR6 (0.44) HTR6
SCHEMBL3533463 0.84 HTR6 (0.53) HTR6HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ADRA1A 158/4885ADRA1B 188/4885

“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.