SCHEMBL288829

SCHEMBL288829

NCCCCCNCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
LMNA P02545 3/20 0.56
ALOX15 P16050 3/20 0.56
KMT2A Q03164 3/20 0.56
THRB P10828 2/20 0.56
MEN1 O00255 2/20 0.56
RECQL P46063 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PLG P00747 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP1A2 P05177 3/20 0.50
TSHR P16473 2/20 0.50
BLM P54132 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CA12 O43570 2/20 0.50
F13A1 P00488 2/20 0.50

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
SCHEMBL181523 1.00 MAOA (0.69) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL7700013 0.98 MAOA (0.67) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL163406 0.98 MAOA (0.65) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL11113096 0.95 MAOA (0.63) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL93783 0.91
Dodecylamine SCHEMBL7193288 0.90 MAOA (0.58) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL21492932 0.90 MAOA (0.58) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL7984820 0.89 CYP1A2 (0.56) MAOAMAOBLMNAALOX15KMT2A
SCHEMBL28831589 0.88 MAOA (0.54) MAOAMAOBLMNAALOX15KMT2A
Hydrochloric Acid SCHEMBL16227633 0.88 MAOA (0.54) MAOAMAOBLMNAALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-7855179-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2010-12-21 US claimed
US-20250170224-A1 METHODS AND COMPOSITIONS FOR TREATING MICROGLIAL DYSFUNCTION AND IMPROVING METABOLIC DYSFUNCTION ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2025-05-29 US disclosed
EP-4429657-A1 METHODS AND COMPOSITIONS FOR TREATING MICROGLIAL DYSFUNCTION AND IMPROVING METABOLIC DYSFUNCTION Ultimate Medicine AG (CH) 2024-09-18 EP disclosed
WO-2023079366-A1 METHODS AND COMPOSITIONS FOR TREATING MICROGLIAL DYSFUNCTION AND IMPROVING METABOLIC DYSFUNCTION ULTIMATE MEDICINE AG (CH) 2023-05-11 WO disclosed
WO-2004033489-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2004-04-22 WO disclosed
US-6251854-B1 COMPRISING AN OLIGOPETIDE INCLUDING A GUANIDINIUM-CONTAINING AMINO ACID SUCH AS ARGININE, AND A COMPOUND SUCH AS 2H-3-(4-FLUOROBENZYL)-7-(BUT-2-YL)-8-(3-METHYLBUTYL)-DIAZOLIDINE(1,2 -B)DIHYDROIMIDAZOLE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-06-26 US disclosed
WO-1998041223-A1 N-METHYL-D-ASPARTATE RECEPTOR CHANNEL BLOCKERS AND METHOD FOR IDENTIFYING SUCH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-09-24 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 (4 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A MAOA 706/4885MAOB 313/4885LMNA 2246/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS MAOA 736/4885MAOB 157/4885LMNA 2799/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 MAOA 1733/4885MAOB 822/4885LMNA 2161/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS MAOA 736/4885MAOB 157/4885LMNA 2799/4885

“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.