SCHEMBL3534202

SCHEMBL3534202

Cn1nc(S(=O)(=O)c2cccc3ccccc23)c2cccc(OCCN3CCCC3)c21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
HTR6 P50406 5/20 0.47
HRH3 Q9Y5N1 4/20 0.47
HTR7 P34969 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2C P28335 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL3538306 0.99 HTR6 (0.48) TDP1HTR6HRH3HTR7HTR2A
SCHEMBL3528627 0.88 TDP1 (0.47) TDP1HTR6HTR7HTR2AHTR1A
SCHEMBL3529159 0.85 HTR1B (0.48) HTR6HTR7HTR2AHTR2BHTR1A
SCHEMBL3535014 0.85 HTR6 (0.45) HTR6HTR7HTR2AHTR2BHTR1A
SCHEMBL3532652 0.84 HTR1B (0.52) HTR6HTR7HTR2AHTR2BHTR1A
SCHEMBL3536099 0.82 HTR1B (0.54) HTR6HTR2BHTR1ADRD2HTR1D
SCHEMBL3538879 0.82 HTR1B (0.47) HTR6HTR7HTR2AHTR2BHTR1A
SCHEMBL3531918 0.82 HTR6 (0.59) HTR6HRH3HTR2BHTR1ADRD2
SCHEMBL3535461 0.81 HTR6 (0.47) TDP1HTR6HRH3HTR7HTR2A
SCHEMBL3531810 0.81 HTR6 (0.47) TDP1HTR6HRH3HTR7HTR2A

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 TDP1 1045/4885HTR6 1/4885HRH3 534/4885

“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.