SCHEMBL340533

SCHEMBL340533

NCC(CP(O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ROCK2 O75116 1/20 0.36
ACP3 P15309 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
MAOB P27338 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HSD11B1 P28845 1/20 0.35
KCNK2 O95069 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
IDO1 P14902 2/20 0.34
EPHX2 P34913 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34

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
SCHEMBL11078290 0.83 TAAR1 (0.48) PNMTTAAR1CES2CES1ACP3
SCHEMBL636927 0.80 GABBR2 (0.54) GABBR2GABBR1IDO1
SCHEMBL28855333 0.77 TAAR1 (0.40) PNMTTAAR1CES2CES1ACP3
SCHEMBL342251 0.77 GABBR2 (0.36) GABBR2GABBR1
SCHEMBL1886201 0.77 GABBR2 (0.56) GABBR2GABBR1SLC6A4SLC6A3
SCHEMBL1884058 0.77 GABBR2 (0.56) GABBR2GABBR1SLC6A4SLC6A3
SCHEMBL342850 0.77 GABBR2 (0.56) GABBR2GABBR1SLC6A4SLC6A3
SCHEMBL341897 0.76 GABBR2 (0.55) TAAR1GABBR2GABBR1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9142861 0.75 GABBR2 (0.54) GABBR2GABBR1SLC6A4SLC6A3IDO1
SCHEMBL3748443 0.74 ALDH1A1 (0.46) PNMTTAAR1CES2CES1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190167632-A1 METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) MUELLER WOLFGANG S (US) 2019-06-06 US claimed
US-20190125779-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2019-05-02 US claimed
US-10238622-B2 Methods of treating and preventing/reducing the likelihood of Mesial temporal lobe epilepsy (TLE) THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2019-03-26 US claimed
US-20170042929-A9 Methods of Treating Neurological Diseases UNIVERSITY OF HOUSTON 2017-02-16 US claimed
WO-2016109624-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2016-07-07 WO claimed
US-20150051166-A1 Methods of Treating Neurological Diseases ZIBURKUS JOKUBAS (US) 2015-02-19 US claimed
WO-2014028883-A1 METHODS OF TREATING OF NEUROLOGICAL DISEASES UNIVERSITY OF HOUSTON (US) 2014-02-20 WO claimed
EP-2593104-A2 METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) Müller, Prof. Dr., Wolfgang (DE) 2013-05-22 EP claimed
US-20120115919-A1 METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-05-10 US claimed
WO-2011113904-A1 MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF A DISEASE ASSOCIATED WITH RETINAL GANGLION CELL DEGENERATION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-09-22 WO claimed
EP-2106799-A1 Use of a biologically active blood serum for the treatment of a disorder characterized in a reduced function of a GABA receptor OWEN Holding LTD (GB) 2009-10-07 EP claimed
US-20080318908-A1 USE OF GABA AND GABAB AGONISTS TRUSTEES OF TUFTS COLLEGE (US) 2008-12-25 US claimed
US-20060241134-A1 Pharmaceutical combinations of a proton pump inhibitor and a compound which modifies gastrointestinal motility ALTANA PHARMA GA (DE) 2006-10-26 US claimed
US-20060089335-A1 Compositions and methods for enhancing cognitive function and synaptic plasticity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 US claimed
EP-1644043-A1 PHARMACEUTICAL COMBINATIONS OF A PROTON PUMP INHIBITOR AND A COMPOUND WHICH MODIFIES GASTROINTESTINAL MOTILITY ALTANA Pharma AG (DE) 2006-04-12 EP claimed
WO-2005037215-A2 COMPOSITIONS AND METHODS FOR ENHANCING COGNITIVE FUNCTION AND SYNAPTIC PLASTICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-04-28 WO claimed
WO-2004105795-A1 PHARMACEUTICAL COMBINATIONS OF A PROTON PUMP INHIBITOR AND A COMPOUND WHICH MODIFIES GASTROINTESTINAL MOTILITY ALTANA PHARMA AG (DE) 2004-12-09 WO claimed
EP-0936906-B1 REFLUX INHIBITORS ASTRAZENECA AB (SE) 2003-09-10 EP claimed
US-20030162754-A1 Use of GABA and GABAB agonists TUFTS UNIVERSITY 2003-08-28 US claimed
US-6117908-A Use of GABAB receptor agonists as reflux inhibitors ASTRA AKTIEBOLAG (SE) 2000-09-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060089335-A1 Compositions and methods for enhancing cognitive function and synaptic plasticity GRIN2B, CACNA1B, GRIN2A PNMT 1519/4885TAAR1 790/4885CES2 1434/4885

“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.