SCHEMBL341897

SCHEMBL341897

NCC(CP(O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.55
GABBR1 Q9UBS5 5/20 0.55
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 2/20 0.48
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH1 P35367 1/20 0.40
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NFKB1 P19838 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
SCHEMBL342251 0.80 GABBR2 (0.36) GABBR2GABBR1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL636927 0.80 GABBR2 (0.54) GABBR2GABBR1CYP1A2CYP2D6LMNA
SCHEMBL1886201 0.80 GABBR2 (0.56) GABBR2GABBR1SLC6A4SLC6A3CYP1A2
SCHEMBL342850 0.80 GABBR2 (0.56) GABBR2GABBR1SLC6A4SLC6A3CYP1A2
SCHEMBL1539105 0.79 TAAR1 (0.65) GABBR2GABBR1TAAR1HTR2ASLC6A2
Hydrochloric Acid SCHEMBL9142861 0.79 GABBR2 (0.54) GABBR2GABBR1SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL10676327 0.77 TAAR1 (0.62) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL341858 0.76 ALDH1A1 (0.45) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL340533 0.76 PNMT (0.39) GABBR2GABBR1TAAR1SLC6A2SLC6A4
SCHEMBL4789777 0.76 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2ASLC6A2

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 110 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 GABBR2 63/4885GABBR1 54/4885TAAR1 790/4885

“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.