SCHEMBL10044461

SCHEMBL10044461

CC(=O)CN(C)CCCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
PAOX Q6QHF9 4/20 0.46
NFKB1 P19838 2/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4A O75164 1/20 0.34
HIF1A Q16665 1/20 0.34
TET2 Q6N021 1/20 0.34
DOHH Q9BU89 1/20 0.34
LMNA P02545 3/20 0.33
BLM P54132 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLG P00747 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL13573476 0.98 CHRM2 (0.60) CHRM2PAOXNFKB1CYP2D6KDM4A
SCHEMBL10044468 0.98 CHRM2 (0.60) CHRM2PAOXNFKB1CYP2D6KDM4A
SCHEMBL10044463 0.93 CHRM2 (0.46) CHRM2PAOXNFKB1CYP2D6LMNA
SCHEMBL4285941 0.87 CHRM2 (0.56) CHRM2PAOXNFKB1CYP2D6KDM4A
SCHEMBL8087943 0.84
SCHEMBL16299313 0.84 CHRM2 (0.44) CHRM2PAOXKDM4AHIF1ATET2
SCHEMBL24112603 0.83 CHRM2 (0.56) CHRM2PAOXNFKB1CYP2D6LMNA
Ammonia Solution, Strong SCHEMBL27395832 0.81 CHRM2 (0.54) CHRM2PAOXNFKB1CYP2D6LMNA
SCHEMBL14064830 0.80 GGPS1 (0.47) KDM4AALDH1A1GGPS1FDPSAGTR1
SCHEMBL16560407 0.80 PAOX (0.33) CHRM2PAOXKDM4ESMN1; SMN2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2016-08-04 US disclosed
US-9364449-B2 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NEW YORK UNIVERSITY (US) 2016-06-14 US disclosed
US-9364449-B2 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NEW YORK UNIVERSITY (US) 2016-06-14 US disclosed
US-9315548-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2016-04-19 US disclosed
US-20150011465-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2015-01-08 US disclosed
US-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NATIONAL SCIENCE FOUNDATION 2014-09-18 US disclosed
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-8828413-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2014-09-09 US disclosed
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 US disclosed
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-19 US disclosed
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-19 US disclosed
WO-2011156003-A2 PEPTOID AND SYNTHETIC OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2011-12-15 WO disclosed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 US disclosed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 US disclosed
US-20100069308-A1 Surfaces containing antibacterial polymers CHORNY IIYA 2010-03-18 US disclosed
WO-2008110695-A1 NOVEL MULTIMERIC MOLECULES, METHOD FOR PREPARING SAME AND USE THEREOF IN THE PREPARATION OF DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-09-18 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 (8 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-20150011465-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 CHRM2 4400/4885PAOX 103/4885NFKB1 679/4885
US-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 CHRM2 4400/4885PAOX 103/4885NFKB1 679/4885
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same APP, IAPP, PSEN1 CHRM2 2174/4885PAOX 395/4885NFKB1 1061/4885
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 CHRM2 196/4885PAOX 1593/4885NFKB1 609/4885
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 CHRM2 1815/4885PAOX 3482/4885NFKB1 172/4885
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP CHRM2 4706/4885PAOX 3968/4885NFKB1 1536/4885
US-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NGLY1, FPR1, REV1 CHRM2 2495/4885PAOX 438/4885NFKB1 639/4885
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP CHRM2 4706/4885PAOX 3968/4885NFKB1 1536/4885

“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.