SCHEMBL340904

SCHEMBL340904

NCC(CC(=O)O)c1ccc(Br)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.67
GABBR1 Q9UBS5 5/20 0.67
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
DAO P14920 1/20 0.39
GABRR1 P24046 2/20 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
SCHEMBL4306120 0.91 GABBR2 (0.57) GABBR2GABBR1LMNACYP2C9CYP3A4
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid SCHEMBL342009 0.80 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL341475 0.80 GABBR2 (0.67) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL4242299 0.79 GABBR2 (0.41) GABBR2GABBR1KMT2ADAO
SCHEMBL341042 0.71 GABBR2 (0.56) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL4240529 0.69 DAO (0.45) CYP2C9DRD3CYP2D6CYP2C19MEN1
SCHEMBL9199492 0.69 GABBR2 (0.53) GABBR2GABBR1LMNACYP1A2
SCHEMBL9202497 0.69 GABBR2 (0.60) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL17459279 0.67 DAO (0.47) LMNABLMKMT2ADAO
Phenibut SCHEMBL351501 0.67 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4

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 112 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 54/4885LMNA 4077/4885

“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.