SCHEMBL349398

SCHEMBL349398

NCC(CC(=O)O)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.61
GABBR1 Q9UBS5 5/20 0.61
LMNA P02545 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
NFKB1 P19838 1/20 0.56
DRD3 P35462 1/20 0.56
BLM P54132 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
NISCH Q9Y2I1 1/20 0.45
CTSA P10619 1/20 0.44

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
SCHEMBL23750260 0.85 NISCH (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL21632340 0.83 GABBR2 (0.45) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL10497400 0.83 CTSA (0.45) GABBR2GABBR1CYP3A4CTSA
SCHEMBL23750207 0.82 NISCH (0.45) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL23750206 0.82 NISCH (0.45) GABBR2GABBR1LMNACYP2C9CYP3A4
Hydrochloric Acid SCHEMBL21956238 0.82 GABBR2 (0.44) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL24878545 0.82 NISCH (0.45) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL23750261 0.82 NISCH (0.45) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL10507509 0.81 NISCH (0.57) LMNACYP2C9CYP3A4ADORA3NFKB1
SCHEMBL21631947 0.81 CYSLTR2 (0.47) 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use ARBOR PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE ARBOR PHARMACEUTICALS, LLC 2018-09-13 US disclosed
US-9944592-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2018-04-17 US disclosed
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2017-07-06 US disclosed
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 US disclosed
WO-2012009646-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 WO disclosed
US-20040152775-A1 Compounds useful in reflux disease ASTRAZENECA AB (SE) 2004-08-05 US disclosed
CN-1514825-A Novel compounds useful in reflux disease 2004-07-21 CN disclosed
EP-1399419-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE AstraZeneca AB (SE) 2004-03-24 EP disclosed
US-20030220303-A1 New aminopropylphosphinic acids ELEBRING THOMAS (SE) 2003-11-27 US disclosed
US-6596711-B1 GABA B receptor agonists for use in the treatment of CNS disorders, such as muscle relaxation in spinal spasticity, cardiovascular disorders, asthma, gut motility disorders such as irritable bowel syndrome and gastroesophogeal reflux ASTRAZENECA AB (SE) 2003-07-22 US disclosed
CN-1409716-A New amino propylphosphinic acid ASTRAZENECA AB (SE) 2003-04-09 CN disclosed
WO-2002100823-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed
EP-1239843-A1 NEW (AMINOPROPYL)METHYLPHOSPHINIC ACIDS AstraZeneca AB (SE) 2002-09-18 EP disclosed
WO-2001041743-A1 NEW (AMINOPROPYL)METHYLPHOSPHINIC ACIDS ASTRAZENECA AB (SE) 2001-06-14 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 (8 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-20030220303-A1 New aminopropylphosphinic acids GABRP, GABRB1, GABRA1 GABBR2 13/4885GABBR1 17/4885LMNA 4590/4885
US-10385014-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20180258032-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX GABBR2 1861/4885GABBR1 1557/4885LMNA 694/4885
US-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI GABBR2 6/4885GABBR1 7/4885LMNA 3875/4885
US-20040152775-A1 Compounds useful in reflux disease HRH2, HRH1, HRH4 GABBR2 1721/4885GABBR1 1748/4885LMNA 4379/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GABBR2 1861/4885GABBR1 1557/4885LMNA 694/4885
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS GABBR2, GABBR1, GABRB1 GABBR2 1/4885GABBR1 2/4885LMNA 2604/4885

“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.