SCHEMBL4483744

SCHEMBL4483744

CN1CCN(c2ccc3[nH]cc(S(=O)(=O)c4ccc5ccccc5c4)c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
HTR3A P46098 4/20 0.43
HTR3E A5X5Y0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
THPO P40225 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PKM P14618 1/20 0.43
HTR6 P50406 9/20 0.43
HTR2C P28335 7/20 0.43
HTR2A P28223 5/20 0.43
DRD3 P35462 5/20 0.43
HTR1A P08908 4/20 0.43
HTR7 P34969 4/20 0.43
RAD52 P43351 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
SCHEMBL4495125 0.84 HTR1F (0.46) PARP1HTR3AKDM4EALDH1A1HTR6
SCHEMBL13754757 0.76 HTR6 (0.60) PARP1HTR3AHTR3EKDM4EHTR3B
Hydrochloric Acid SCHEMBL4483599 0.75 HTR6 (0.59) PARP1HTR3AHTR3EKDM4EHTR3B
SCHEMBL3323296 0.74 CASP1 (0.45) HTR3AHTR3EKDM4EHTR3BALDH1A1
SCHEMBL4480306 0.69 HTR6 (0.51) HTR3AALDH1A1HTR6HTR2CHTR2A
SCHEMBL4480373 0.69 HTR6 (0.56) HTR3AKDM4EALDH1A1HRH4HTR6
SCHEMBL3950225 0.69 HTR6 (0.53) HTR3AHTR6HTR2CHTR2ADRD3
SCHEMBL13754756 0.68 PARP1 (0.50) PARP1HTR3AHTR3EKDM4EHTR3B
Hydrochloric Acid SCHEMBL4480563 0.68 PARP1 (0.49) PARP1HTR3AHTR3EKDM4EHTR3B
SCHEMBL5200831 0.67 HTR6 (0.60) HTR6HTR2CDRD3HTR1AHTR7

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-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US claimed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
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-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US 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 PARP1 3818/4885HTR3A 5/4885HTR3E 15/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C PARP1 4027/4885HTR3A 5/4885HTR3E 13/4885

“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.