SCHEMBL10044463

SCHEMBL10044463

CC(=O)CN(C)CCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
PAOX Q6QHF9 4/20 0.43
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRR2 P28476 1/20 0.32

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
SCHEMBL10044461 0.93 CHRM2 (0.56) CHRM2PAOXCYP1A2LMNATHRB
SCHEMBL13573476 0.91 CHRM2 (0.60) CHRM2PAOXLMNATHRBBLM
SCHEMBL10044468 0.91 CHRM2 (0.60) CHRM2PAOXLMNATHRBBLM
SCHEMBL8087943 0.86
SCHEMBL3384214 0.82 CHRM2 (0.46) CHRM2CYP1A2LMNATHRBBLM
SCHEMBL4285941 0.80 CHRM2 (0.56) CHRM2PAOXCYP1A2LMNATHRB
SCHEMBL27497237 0.79 CHRM2 (0.40) CHRM2PAOXTDP1
SCHEMBL7082287 0.79 KDM4C (0.43) ALDH1A1
SCHEMBL14216628 0.79 PAOX (0.34) PAOX
SCHEMBL16299313 0.78 CHRM2 (0.44) CHRM2PAOXLMNAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 103/4885CYP1A2 3687/4885
US-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 CHRM2 4400/4885PAOX 103/4885CYP1A2 3687/4885
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same APP, IAPP, PSEN1 CHRM2 2174/4885PAOX 395/4885CYP1A2 4120/4885
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP CHRM2 4706/4885PAOX 3968/4885CYP1A2 4875/4885
US-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NGLY1, FPR1, REV1 CHRM2 2495/4885PAOX 438/4885CYP1A2 3162/4885
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP CHRM2 4706/4885PAOX 3968/4885CYP1A2 4875/4885

“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.