SCHEMBL4423533

SCHEMBL4423533

[CH2]CC1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 3/20 0.52
KDM4E B2RXH2 1/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
NAMPT P43490 1/20 0.42
CACNA1H O95180 1/20 0.42
GALR3 O60755 2/20 0.41
PIK3CD O00329 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR8 P51685 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL1811249 0.74 FPR2 (0.44) KDM4EGRNSORT1PIK3CDEPHX2
SCHEMBL12239324 0.73 NAA50 (0.43) NAA50KDM4EGRNSORT1HTR2A
SCHEMBL4817606 0.73 KDM4E (0.54) NAA50KDM4EGRNSORT1NAMPT
SCHEMBL4817595 0.73 KDM4E (0.54) NAA50KDM4EGRNSORT1NAMPT
SCHEMBL4284018 0.72 KDM4E (0.50) NAA50KDM4EGRNSORT1NAMPT
SCHEMBL3769045 0.72 NAA50 (0.42) NAA50KDM4EGRNSORT1NAMPT
SCHEMBL3135763 0.69 HTR2A (0.62) KDM4EHTR2AHTR2CEPHX2TSHR
SCHEMBL8260077 0.68 GRN (0.73) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL1572486 0.68 GRN (1.00) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL6413925 0.68 GRN (0.50) NAA50KDM4EGRNSORT1NAMPT

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-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
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
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
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 (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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NAA50 1267/4885KDM4E 3303/4885GRN 3994/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NAA50 775/4885KDM4E 3560/4885GRN 4156/4885

“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.