SCHEMBL3535732

SCHEMBL3535732

O=S(=O)(c1cccc2ccccc12)c1n[nH]c2c(OCCN3CCCCC3)cc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.48
HRH3 Q9Y5N1 4/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
BCHE P06276 1/20 0.39
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
SCHEMBL3532243 0.99 HTR6 (0.49) HTR6HRH3HTR2AHTR7TDP1
SCHEMBL3535542 0.89 HTR6 (0.48) HTR6HRH3HTR2AHTR7TDP1
SCHEMBL3531145 0.88 HTR6 (0.48) HTR6HRH3HTR2AHTR7TDP1
SCHEMBL3536811 0.88 HTR6 (0.43) HTR6HRH3HTR2AHTR7ESR1
SCHEMBL3534246 0.87 HTR6 (0.42) HTR6HRH3HTR2AHTR7TDP1
SCHEMBL3532631 0.84 HTR6 (0.39) HTR6HTR2B
SCHEMBL3535820 0.83 HTR6 (0.43) HTR6HTR2B
Hydrochloric Acid SCHEMBL3532662 0.83 HTR6 (0.43) HTR6HTR2B
SCHEMBL3532929 0.82 HTR6 (0.49) HTR6HTR2AHTR7
SCHEMBL3535815 0.82 HTR1D (0.45) HTR6

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 3 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
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 1/4885HRH3 534/4885HTR2A 11/4885

“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.