SCHEMBL6136571

SCHEMBL6136571

NC(=O)CC(C=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 4/20 0.49
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SLC6A3 Q01959 3/20 0.44
DRD3 P35462 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
EDNRB P24530 1/20 0.44
MC4R P32245 1/20 0.44
MC3R P41968 1/20 0.44
DRD2 P14416 1/20 0.44
EPHX1 P07099 1/20 0.42
BCAT2 O15382 1/20 0.41

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
SCHEMBL21516127 0.84 GABBR2 (0.50) CYP2D6CYP2C19GABBR2GABBR1LMNA
SCHEMBL7537470 0.84 GABBR2 (0.50) CYP2D6CYP2C19GABBR2GABBR1LMNA
SCHEMBL27556646 0.81 ALDH1A1 (0.44) CYP2D6CYP2C19GABBR2GABBR1ALDH1A1
SCHEMBL27146428 0.80 CYP1A2 (0.64) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL9105247 0.79 ALDH1A1 (0.63) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL436598 0.79 TSHR (0.53) CYP1A2SMN1; SMN2NPSR1CYP2C19ALDH1A1
SCHEMBL27601244 0.78 HPGD (0.40) CYP2D6CYP2C19GABBR2GABBR1ALDH1A1
SCHEMBL28747890 0.78 CYP2D6 (0.51) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL25627210 0.78 CYP2D6 (0.41) CYP2D6CYP2C19GABBR2GABBR1LMNA
SCHEMBL1383474 0.77 CYP2C19 (0.67) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 US disclosed
WO-2015100252-A1 DEUTERATED FELBAMATE, COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USE THEREOF PEROSPHERE, INC. (US) 2015-07-02 WO disclosed
EP-1337218-A4 SUBSTITUTED FELBAMATE DERIVED COMPOUNDS UNIV VIRGINIA (US) 2005-08-10 EP disclosed
EP-1282414-B1 FELBAMATE DERIVED COMPOUNDS FOR TREATING NEUROPATHIC PAIN UNIV VIRGINIA (US) 2005-01-05 EP disclosed
US-6759402-B2 ELIMINATING TOXICITY EFFECT; EPILEPTIC SEIZURES; ANTIISCHEMIC AGENTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2004-07-06 US disclosed
US-20040023986-A1 Substituted felbamate derived compounds GENERAL ELECTRIC CAPITAL CORPORATION 2004-02-05 US disclosed
US-20030229086-A1 Cyclic felbamate derived compounds MACDONALD TIMOTHY L (US) 2003-12-11 US disclosed
US-20030166648-A1 Felbamate derived compounds GENERAL ELECTRIC CAPITAL CORPORATION 2003-09-04 US disclosed
EP-1337218-A2 SUBSTITUTED FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-08-27 EP disclosed
US-6599935-B2 2-phenyl-1,3-propanediol dicarbamate derivatives used as antiepileptic and antiischemic agents UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-07-29 US disclosed
EP-1156798-B1 FELBAMATE DERIVED COMPOUNDS UNIV VIRGINIA (US) 2003-07-09 EP disclosed
US-6538024-B1 The present invention relates to novel felbamate derivatives and their use to treat neurological diseases such as epilepsy and to treat tissue damage resulting form ischemic events. The felbamate derivatives are modified to prevent the UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-03-25 US disclosed
EP-1282414-A2 FELBAMATE DERIVED COMPOUNDS University of Virginia Patent Foundation (US) 2003-02-12 EP disclosed
US-20020156070-A1 Felbamate derived compounds VIRGINIA, UNIVERSITY OF 2002-10-24 US disclosed
WO-2002056827-A2 SUBSTITUTED FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-07-25 WO disclosed
EP-1156798-A4 FELBAMATE DERIVED COMPOUNDS UNIV VIRGINIA (US) 2002-07-17 EP disclosed
EP-1156798-A1 FELBAMATE DERIVED COMPOUNDS THE UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 2001-11-28 EP disclosed
WO-2001085149-A2 FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2001-11-15 WO disclosed
WO-2000047202-A1 FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-17 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-20020156070-A1 Felbamate derived compounds ABAT, NLN, GABRB1 CYP2D6 624/4885CYP1A2 713/4885PKM 942/4885
US-20030166648-A1 Felbamate derived compounds FAAH, FFAR4, FFAR3 CYP2D6 1074/4885CYP1A2 2319/4885PKM 2272/4885
US-20040023986-A1 Substituted felbamate derived compounds CACNA1B, GABRB1, GABRB3 CYP2D6 395/4885CYP1A2 928/4885PKM 952/4885
US-20030229086-A1 Cyclic felbamate derived compounds NLN, GABRB1, ABAT CYP2D6 1095/4885CYP1A2 896/4885PKM 909/4885

“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.