SCHEMBL3530152

SCHEMBL3530152

O=S(=O)(c1ccccc1)c1n[nH]c2c(OCCN3CCCC3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.54
TDP1 Q9NUW8 2/20 0.44
DRD1 P21728 3/20 0.44
DRD3 P35462 3/20 0.44
DRD2 P14416 2/20 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
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 4/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL3532997 0.99 HTR6 (0.53) HTR6TDP1DRD1DRD3DRD2
SCHEMBL3531145 0.88 HTR6 (0.48) HTR6TDP1HRH3HTR2AHTR7
SCHEMBL3535542 0.87 HTR6 (0.48) HTR6TDP1TSHRHRH3HTR2A
SCHEMBL3533205 0.83 HTR1B (0.43) HTR6KDM4ESMN1; SMN2LTA4H
SCHEMBL3535808 0.80 HTR6 (0.48) HTR6TDP1DRD3DRD2HRH1
SCHEMBL3534079 0.79 HTR1B (0.43) HTR6DRD1DRD3DRD2KDM4E
SCHEMBL3321950 0.79 HTR6 (0.81) HTR6TDP1DRD1DRD3DRD2
Hydrochloric Acid SCHEMBL5242993 0.78 HTR6 (0.80) HTR6TDP1DRD1DRD3DRD2
SCHEMBL3528627 0.78 TDP1 (0.47) HTR6TDP1DRD1DRD3DRD2
SCHEMBL3534073 0.78 HTR1B (0.49) HTR6DRD3DRD2DRD4HTR2A

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 1/4885TDP1 1045/4885DRD1 179/4885

“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.