SCHEMBL3534708

SCHEMBL3534708

CCN(CC)CCOc1ccc2c(cnn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
MAPT P10636 1/20 0.44
CHRNA7 P36544 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SRC P12931 7/20 0.43
LYN P07948 7/20 0.43
BTK Q06187 4/20 0.43
CYP1A2 P05177 1/20 0.43
LTA4H P09960 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3531385 0.91 CHRNB2 (0.42) HTR6SRCHTTLMNA
SCHEMBL3536803 0.89 KDM4E (0.50) HTR6ADORA2AADORA1SRCLYN
SCHEMBL3535203 0.83 FGFR1 (0.44) HTR6LTA4HHTT
SCHEMBL3533707 0.83 HTR6 (0.40) HTR6HTT
SCHEMBL3532185 0.83 HTR6 (0.45) HTR6LMNA
SCHEMBL3536219 0.81 ALDH1A1 (0.42) HTR6KMT2AHTT
SCHEMBL3530480 0.81 HTR6 (0.39) HTR6KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3533173 0.80 OPRD1 (0.39) HTR6CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3534362 0.79 OPRD1 (0.39) HTR6CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3532479 0.79 HRH3 (0.49) ADORA2AADORA1LTA4HKCNH2

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 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 1/4885MAPT 797/4885CHRNA7 74/4885

“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.