SCHEMBL13754756

SCHEMBL13754756

CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
HTR6 P50406 4/20 0.47
DRD2 P14416 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
PAX8 Q06710 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
MAP4K1 Q92918 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
THPO P40225 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
Hydrochloric Acid SCHEMBL4480563 0.99 PARP1 (0.49) PARP1HTR6DRD2HTR2CHTR7
SCHEMBL4495711 0.87 PARP1 (0.49) PARP1HTR6DRD2HTR2CHTR7
SCHEMBL3948910 0.77 HTR6 (0.67) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL4135821 0.75 HTR6 (0.51) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL4479098 0.75 HTR6 (0.53) PARP1HTR6DRD2HTR2CHTR7
SCHEMBL4141127 0.74 HTR6 (0.64) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL4472522 0.71 HTR6 (0.53) PARP1HTR6DRD2HTR2CHTR7
SCHEMBL3950671 0.71 HTR6 (0.63) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL22966105 0.70 PARP1 (0.45) PARP1ALDH1A1KDM4EMAP4K1HTR3A
SCHEMBL27858460 0.69 PIK3CA (0.79) HTR6ALDH1A1KDM4EL3MBTL1HTR3A

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-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

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-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C PARP1 4027/4885HTR6 1/4885DRD2 108/4885

“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.