SCHEMBL4484059

SCHEMBL4484059

Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
DRD2 P14416 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CASP1 P29466 1/20 0.44
CASP5 P51878 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 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
SCHEMBL4469655 0.85 HTR3A (0.48) ALDH1A1DRD2HRH3HTR3EHTR3B
SCHEMBL4481233 0.83 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL13761597 0.81 NPC1 (0.50) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL3947557 0.76 DRD2 (0.57) L3MBTL1ALDH1A1DRD2CA1CA2
SCHEMBL13761595 0.68 NPC1 (0.47) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL477050 0.68 SIGMAR1 (0.55) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL6231596 0.68 HRH3 (0.68) ALDH1A1MAPTHRH3NPC1RAB9A
SCHEMBL3323296 0.68 CASP1 (0.45) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL6863207 0.68 DRD2 (0.54) ALDH1A1MAPTDRD2NPC1RAB9A
SCHEMBL4477820 0.67 LMNA (0.44) L3MBTL1ALDH1A1MAPTHRH3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
EP-1592690-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-11-09 EP disclosed
WO-2004074286-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-09-02 WO disclosed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 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 (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-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C L3MBTL1 3930/4885ALDH1A1 1025/4885MAPT 2456/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C L3MBTL1 4030/4885ALDH1A1 1229/4885MAPT 2305/4885

“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.