SCHEMBL2185225

SCHEMBL2185225

[CH2]C(CN)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.56
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.42
SHBG P04278 1/20 0.39
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL3263270 0.76 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL969704 0.74 SHBG (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL7507782 0.74 TP53 (0.41) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL892135 0.74 SHBG (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL1193182 0.74 SHBG (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL9204742 0.72
SCHEMBL4379254 0.72 EPHX1 (0.62) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL635367 0.72 EPHX1 (1.00) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL9717438 0.72 EPHX1 (0.62) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5720721 0.72 EPHX1 (0.37) EPHX1TP53KDM4EGMNNLMNA

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-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
EP-2343073-A2 Combination of a sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression Sepracor Inc. (US) 2011-07-13 EP disclosed
CN-101914040-A Acyloxyalkyl carbamate prodrugs, synthetic method and purposes XENOPORT INC 2010-12-15 CN disclosed
CN-1860101-B Acyloxyalkyl carbamate prodrugs, synthesis methods and uses XENOPORT INC 2010-10-27 CN disclosed
US-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2007-12-27 US disclosed
CN-101001612-A Controlled release dosage forms for gamma aminobutyric acid receptor agonists IMPAX LABORATORIES INC (US) 2007-07-18 CN disclosed
CN-1860101-A Acyloxyalkyl carbamate prodrugs, synthesis methods and uses XENOPORT INC (US) 2006-11-08 CN disclosed
EP-1696959-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2006-09-06 EP disclosed
EP-1691811-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION Sepracor, Inc. (US) 2006-08-23 EP disclosed
EP-1401423-A4 METHOD OF TREATING GASTROESOPHAGEAL REFLUX DISEASE AND NOCTURNAL ACID BREAKTHROUGH DEPOMED DEV LTD (BM) 2006-08-16 EP disclosed
US-20050215521-A1 Modafinil combination therapy for improving sleep quality SEPRACOR INC. 2005-09-29 US disclosed
WO-2005063297-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed
WO-2005063248-A1 MODAFINIL COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed
WO-2005060968-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2005-07-07 WO disclosed
EP-1401423-A1 METHOD OF TREATING GASTROESOPHAGEAL REFLUX DISEASE AND NOCTURNAL ACID BREAKTHROUGH Depomed Development, Ltd (GB) 2004-03-31 EP disclosed
CN-1117560-C Reflux inhibitors ASTRA AB (SE) 2003-08-13 CN disclosed
US-20030031711-A1 Method of treating gastroesophageal reflux disease and nocturnal acid breakthrough ASSERTIO THERAPEUTICS, INC. 2003-02-13 US disclosed
WO-2002096404-A1 METHOD OF TREATING GASTROESOPHAGEAL REFLUX DISEASE AND NOCTURNAL ACID BREAKTHROUGH DEPOMED DEVELOPMENT LTD (GB) 2002-12-05 WO disclosed
CN-1237105-A Reflux inhibitors ASTRA AB (SE) 1999-12-01 CN 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 (3 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-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION HTR2A, HTR5A, HTR2C EPHX1 3265/4885TP53 4870/4885KDM4E 582/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C EPHX1 3402/4885TP53 4838/4885KDM4E 634/4885
US-20050215521-A1 Modafinil combination therapy for improving sleep quality HCRTR2, HCRTR1, MTNR1A EPHX1 2042/4885TP53 4884/4885KDM4E 98/4885

“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.