SCHEMBL2742841

SCHEMBL2742841

C#CCNC(=O)CCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
EPHX2 P34913 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL26758488 1.00 TSHR (0.42) TSHRMTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL23135478 0.89 TSHR (0.47) TSHRMTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL13029827 0.87 TSHR (0.45) TSHRMTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL21907199 0.86 MTNR1A (0.33) TSHRMTNR1AMTNR1BCNR2MEN1
SCHEMBL17747078 0.86 NAMPT (0.35) TSHRMTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL29263611 0.84 MTNR1A (0.33) TSHRMTNR1AMTNR1BCNR2MEN1
SCHEMBL31296167 0.84 MTNR1A (0.33) TSHRMTNR1AMTNR1BCNR2MEN1
SCHEMBL17766460 0.84 MTNR1A (0.33) TSHRMTNR1AMTNR1BCNR2MEN1
SCHEMBL16441216 0.84 CNR2 (0.39) TSHRMTNR1AMTNR1BCNR2EPHX2
SCHEMBL17067939 0.81 SMN1; SMN2 (0.38) TSHRMTNR1AMTNR1BSMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407482-B2 Amino acid substituted molecules ALLOZYNE, INC. (US) 2019-09-10 US disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 US disclosed
US-20150240249-A1 EXPANDING THE EUKARYOTIC GENETIC CODE SCRIPPS RESEARCH INST (US) 2015-08-27 US disclosed
US-8945926-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2015-02-03 US disclosed
US-20140255345-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2014-09-11 US disclosed
US-8815542-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-26 US disclosed
US-8568706-B2 Modified human interferon-beta polypeptides ALLOZYNE, INC. (US) 2013-10-29 US disclosed
US-20130245230-A1 Unnatural Reactive Amino Acid Genetic Code Additions THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-19 US disclosed
US-8445446-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2013-05-21 US disclosed
US-7625717-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-01 US disclosed
US-7618775-B2 Cells comprise orthogonal aminoacyl-tRNA synthetase and p-acetyl-L-phenylalanine; site-directed mutagenesis; kits THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-17 US disclosed
US-7608423-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-27 US disclosed
US-20080227195-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-18 US disclosed
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-09-04 US disclosed
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-08-21 US disclosed
US-20080176277-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 US disclosed
US-20080096819-A1 Amino acid substituted molecules ALLOZYNE, INC. (US) 2008-04-24 US disclosed
US-20070166791-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 US disclosed
US-20070154952-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-05 US 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-10407482-B2 Amino acid substituted molecules BCAT2, DNPEP, PTMS TSHR 3594/4885MTNR1A 1418/4885MTNR1B 2790/4885
US-20080096819-A1 Amino acid substituted molecules BCAT2, DNPEP, PTMS TSHR 3594/4885MTNR1A 1418/4885MTNR1B 2790/4885
US-20070154952-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 TSHR 2753/4885MTNR1A 3213/4885MTNR1B 4177/4885
US-20130245230-A1 Unnatural Reactive Amino Acid Genetic Code Additions AARS1, OSGEP, NSUN3 TSHR 2755/4885MTNR1A 2373/4885MTNR1B 3473/4885
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS TSHR 3594/4885MTNR1A 1418/4885MTNR1B 2790/4885
US-20140255345-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS TSHR 3594/4885MTNR1A 1418/4885MTNR1B 2790/4885
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS TSHR 3594/4885MTNR1A 1418/4885MTNR1B 2790/4885

“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.