SCHEMBL4077650

SCHEMBL4077650

CC(C)(C)OC(=O)N1CCC(Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.51
TGFBR1 P36897 3/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
BCHE P06276 1/20 0.46
SFRP1 Q8N474 1/20 0.46
STS P08842 1/20 0.46
GPR119 Q8TDV5 5/20 0.46
LIMK2 P53671 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL1991648 0.77 L3MBTL1 (0.62) HTR6KDM4EPKMGPR119CHRM2
Hydrochloric Acid SCHEMBL4068380 0.76 HTR6 (0.63) HTR6
SCHEMBL4777921 0.76 KDM4E (0.54) HTR6KDM4EPKMSTSGPR119
SCHEMBL31668261 0.75 HTR6 (0.47) HTR6KDM4EPKMBCHEGPR119
SCHEMBL4686828 0.74 KDM4E (0.58) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL8444728 0.74 KDM4E (0.58) HTR6TGFBR1KDM4EPKMSTS
SCHEMBL16880224 0.74 HTR6 (0.46) HTR6KDM4EPKMBCHESTS
SCHEMBL5705187 0.74 HTR6 (0.60) HTR6TGFBR1BCHEGPR119
SCHEMBL26116198 0.73 HTR6 (0.48) HTR6TGFBR1KDM4EPKMBCHE
SCHEMBL4768843 0.73 KDM4E (0.51) HTR6KDM4EPKMGPR119CHRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
EP-1554244-A1 1-HETEROCYCLYLALKYL-3-SULFONYLINDOLE OR -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-07-20 EP disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US disclosed
WO-2004009548-A1 1-HETEROCYCLYLALKYL-3-SULFONYLINDOLE OR -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-01-29 WO 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 (2 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885TGFBR1 2275/4885KDM4E 4343/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885TGFBR1 2059/4885KDM4E 4067/4885

“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.