SCHEMBL4042630

SCHEMBL4042630

NCCCN1CCN(CCC(N)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.47
KEAP1 Q14145 1/20 0.47
ALOX15 P16050 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
CYP2D6 P10635 1/20 0.42
PAOX Q6QHF9 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL5799141 0.93 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2KEAP1SIGMAR1CYP2D6
SCHEMBL829653 0.88 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2KEAP1ALOX15SIGMAR1
Urea SCHEMBL11526333 0.87 KEAP1 (0.54) L3MBTL1SMN1; SMN2KEAP1ALOX15SIGMAR1
SCHEMBL8860545 0.87 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2ALOX15PAOXCYP1A2
SCHEMBL11598668 0.87 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2ALOX15PAOXCYP1A2
SCHEMBL24003654 0.83 KDM4E (0.50) L3MBTL1SMN1; SMN2KEAP1ALOX15SIGMAR1
SCHEMBL14392151 0.79 KEAP1 (0.47) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
Adipic Acid SCHEMBL22723323 0.79 CYP2D6 (0.60) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
Adipic Acid SCHEMBL1228726 0.79 CYP2D6 (0.60) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL1616800 0.79

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562842-B2 Use of polyaminoisoprenyl derivatives in antibiotic or antiseptic treatment UNIVERSITE D'AIX-MARSEILLE (FR) 2020-02-18 US claimed
EP-2678307-B1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIV AIX MARSEILLE (FR) 2018-04-04 EP claimed
US-20170015617-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIVERSITE D'AIX-MARSEILLE (FR) 2017-01-19 US claimed
US-20140128335-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIVERSITE D'AIX-MARSEILLE (FR) 2014-05-08 US claimed
EP-2678307-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT Université d'Aix-Marseille (FR) 2014-01-01 EP claimed
WO-2012113891-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIVERSITE D'AIX-MARSEILLE (FR) 2012-08-30 WO claimed
US-10562842-B2 Use of polyaminoisoprenyl derivatives in antibiotic or antiseptic treatment UNIVERSITE D'AIX-MARSEILLE (FR) 2020-02-18 US disclosed
EP-2678307-B1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIV AIX MARSEILLE (FR) 2018-04-04 EP disclosed
US-20170015617-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIVERSITE D'AIX-MARSEILLE (FR) 2017-01-19 US disclosed
US-9464032-B2 Use of polyaminoisoprenyl derivatives in antibiotic or antiseptic treatment UNIVERSITE D'AIX-MARSEILLE (FR) 2016-10-11 US disclosed
US-20140128335-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT UNIVERSITE D'AIX-MARSEILLE (FR) 2014-05-08 US disclosed
US-20090221821-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2009-09-03 US disclosed
US-7579354-B2 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2009-08-25 US disclosed
EP-1230243-B1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2009-03-04 EP disclosed
US-20070015732-A1 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2007-01-18 US disclosed
US-20060252730-A1 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2006-11-09 US disclosed
US-20040067966-A1 Adenosine receptor antagonists and methods of making and using the same BIOGEN, INC. 2004-04-08 US disclosed
US-6649600-B1 2,6-Dioxo or dithioxy-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo derivatives; highly potent and selective diuretics BIOGEN, INC. 2003-11-18 US disclosed
EP-1230243-A1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2002-08-14 EP disclosed
WO-2001034610-A1 POLYCYCLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2001-05-17 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 (7 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-20090221821-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME ADORA1, ADORA2A, ADORA3 L3MBTL1 2154/4885SMN1; SMN2 1007/4885KEAP1 1197/4885
US-20060252730-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 L3MBTL1 2154/4885SMN1; SMN2 1007/4885KEAP1 1197/4885
US-20070015732-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 L3MBTL1 2154/4885SMN1; SMN2 1007/4885KEAP1 1197/4885
US-20140128335-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT ABCC1, ABCB11, ABCB1 L3MBTL1 4203/4885SMN1; SMN2 4878/4885KEAP1 1273/4885
US-20040067966-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 L3MBTL1 2518/4885SMN1; SMN2 1001/4885KEAP1 1183/4885
US-20170015617-A1 USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT ABCC1, ABCB11, ABCB1 L3MBTL1 4203/4885SMN1; SMN2 4878/4885KEAP1 1273/4885
US-10562842-B2 Use of polyaminoisoprenyl derivatives in antibiotic or antiseptic treatment ABCC1, ABCB11, ABCB1 L3MBTL1 4203/4885SMN1; SMN2 4878/4885KEAP1 1273/4885

“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.