SCHEMBL3534705

SCHEMBL3534705

CCN(CC)CCOc1ccc2[nH]nc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.45
MAPK8 P45983 1/20 0.44
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
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
PARP1 P09874 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR1D P28221 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
SCHEMBL3531380 0.91 TTK (0.44) TTKMAPK8
SCHEMBL3532700 0.89 HTR6 (0.46) TTKMAPK8ADORA2AADORA1LTA4H
SCHEMBL3533132 0.85 HTR6 (0.55) TTKMAPK8MAPTCHRNA7KMT2A
Hydrochloric Acid SCHEMBL3538320 0.84 HTR6 (0.54) TTKMAPK8MAPTCHRNA7KMT2A
SCHEMBL3535199 0.83 TTK (0.48) TTKMAPK8LTA4HPARP1HTR1D
SCHEMBL3531350 0.83 TTK (0.45) TTKMAPK8
SCHEMBL3532183 0.83 TTK (0.44) TTKMAPK8HTR1D
SCHEMBL3533702 0.81 TTK (0.47) TTKMAPK8MAPTCYP1A2CYP2D6
SCHEMBL3530478 0.81 TTK (0.47) TTKMAPK8MAPTCYP1A2CYP2D6
SCHEMBL3530474 0.81 HTR1A (0.46) TTKMAPK8MAPTKMT2AHTR1D

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 9 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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO 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
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
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 TTK 4270/4885MAPK8 2025/4885MAPT 797/4885

“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.