SCHEMBL3528627

SCHEMBL3528627

Cn1nc(S(=O)(=O)c2ccccc2)c2cccc(OCCN3CCCC3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
HTR6 P50406 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 3/20 0.44
DRD1 P21728 3/20 0.44
DRD3 P35462 3/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 3/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 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
SCHEMBL3534202 0.88 TDP1 (0.48) TDP1HTR6CYP1A2CYP2D6CYP2C19
SCHEMBL3538306 0.87 HTR6 (0.48) TDP1HTR6CYP1A2CYP2D6CYP2C19
SCHEMBL3535823 0.83 HTR6 (0.50) TDP1HTR6HRH1GAAKDM4E
SCHEMBL3531502 0.83 HASPIN (0.39) TDP1HTR6
SCHEMBL3531498 0.82 HTR1B (0.48) HTR6
SCHEMBL3531571 0.82 HTR6 (0.42) HTR6DRD2DRD1DRD3POLB
SCHEMBL3531503 0.82 ABCB1 (0.36) HTR6DRD2HTR1AHTR7HTR2A
SCHEMBL3532453 0.80 LTA4H (0.44) HTR6DRD2DRD1DRD3HTR1A
SCHEMBL3530152 0.78 HTR6 (0.54) TDP1HTR6DRD2DRD1DRD3
SCHEMBL3532997 0.77 HTR6 (0.53) TDP1HTR6DRD2DRD1DRD3

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 1/4885CYP1A2 346/4885

“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.