SCHEMBL4423455

SCHEMBL4423455

NCCC1CCN(c2nccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ENPP1 P22413 1/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHI3L1 P36222 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL31421086 0.81 HPGD (0.43) DRD2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL1700773 0.81 HPGD (0.51) DRD2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL6029924 0.81 MEN1 (0.49) DRD2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL20243707 0.78 HPGD (0.51) DRD2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL28982953 0.78 HPGD (0.52) DRD2HPGDHSD17B10MEN1ALDH1A1
Hydrochloric Acid SCHEMBL1058151 0.77 HPGD (0.50) DRD2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL1729839 0.76 HSD17B10 (0.53) DRD2HPGDHSD17B10ALDH1A1HTT
SCHEMBL26123760 0.76 HSD17B10 (0.55) DRD2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL29102030 0.75
SCHEMBL3060177 0.75 HPGD (0.51) DRD2HPGDHSD17B10MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 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 (3 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK DRD2 2766/4885HPGD 120/4885HSD17B10 2631/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 DRD2 2888/4885HPGD 73/4885HSD17B10 2457/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK DRD2 3072/4885HPGD 45/4885HSD17B10 2253/4885

“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.