SCHEMBL1760728

SCHEMBL1760728

CC(C)(C)OC(=O)n1ccc2c(CO)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
EPHX1 P07099 1/20 0.44
HTR6 P50406 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PDE10A Q9Y233 1/20 0.40
AKT1 P31749 1/20 0.40
NOTUM Q6P988 1/20 0.39
ACHE P22303 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 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
SCHEMBL30511851 1.00 L3MBTL1 (0.54) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL30640439 0.88 L3MBTL1 (0.50) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL10819614 0.88 L3MBTL1 (0.50) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL2167353 0.88 L3MBTL1 (0.50) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL31370630 0.88 L3MBTL1 (0.50) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL25361693 0.88 L3MBTL1 (0.50) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL10820370 0.86 L3MBTL1 (0.52) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL31370731 0.85 L3MBTL1 (0.48) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL1520892 0.83 L3MBTL1 (0.70) L3MBTL1EPHX1HTR6CHRM2CHRM4
SCHEMBL13230289 0.82 L3MBTL1 (0.46) L3MBTL1EPHX1HTR6CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067950-B1 NEO-TRYPTOPHAN MAYO FOUNDATION (US) 2008-05-14 EP claimed
US-20030166505-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2003-09-04 US claimed
US-20010027174-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH MINNESOTA CORPORATION 2001-10-04 US claimed
EP-1067950-A4 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL (US) 2001-09-05 EP claimed
US-6214790-B1 POLYPEPTIDES OF NEOTRYPTOPHAN AND SYNTHESIS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2001-04-10 US claimed
EP-1067950-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-01-17 EP claimed
WO-1999052539-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-10-21 WO claimed
CN-118255777-A Synthesis and application of CDK7 inhibitors 晶锐医药(苏州)有限公司 2024-06-28 CN disclosed
WO-2023158725-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS LUCY THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US disclosed
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 WO disclosed
US-20130210740-A1 NEO-TRYPTOPHAN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-15 US disclosed
WO-2004049901-A2 METHODS OF TREATING CEREBRAL ISCHEMIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-06-17 WO disclosed
US-20030166505-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2003-09-04 US disclosed
US-20010027174-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH MINNESOTA CORPORATION 2001-10-04 US disclosed
EP-1067950-A4 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL (US) 2001-09-05 EP disclosed
US-6214790-B1 POLYPEPTIDES OF NEOTRYPTOPHAN AND SYNTHESIS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2001-04-10 US disclosed
EP-1067950-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-01-17 EP disclosed
WO-1999052539-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-10-21 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-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, GRIN2A L3MBTL1 1521/4885EPHX1 600/4885HTR6 481/4885
US-20030166505-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 L3MBTL1 1214/4885EPHX1 3078/4885HTR6 12/4885
US-20010027174-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 L3MBTL1 1214/4885EPHX1 3078/4885HTR6 12/4885
US-20130210740-A1 NEO-TRYPTOPHAN OPRL1, GAP43, NTSR1 L3MBTL1 269/4885EPHX1 1742/4885HTR6 11/4885

“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.