SCHEMBL6375245

SCHEMBL6375245

NCC(CC(=O)O)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALOX5 P09917 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CACNA2D1 P54289 2/20 0.40
CYP2C19 P33261 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6382413 1.00 MIF (0.45) MIFSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL6375241 1.00 MIF (0.45) MIFSLC1A3SLC1A2SLC1A1ALOX5
Oxalic Acid SCHEMBL6382420 0.97 MIF (0.43) MIFSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL2035900 0.80 SLC1A3 (0.48) MIFSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL2029903 0.80 SLC1A3 (0.48) MIFSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL2029905 0.80 SLC1A3 (0.48) MIFSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL6375958 0.79 CTSS (0.46) SLC1A3SLC1A2SLC1A1ALOX5GAA
SCHEMBL6375968 0.79 CTSS (0.46) SLC1A3SLC1A2SLC1A1ALOX5GAA
SCHEMBL6376094 0.79 CTSS (0.46) SLC1A3SLC1A2SLC1A1ALOX5GAA
SCHEMBL11070093 0.77 CPA1 (0.56) MIFSLC1A3SLC1A2SLC1A1ALOX5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185524-B1 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER LAMBERT CO (US) 2005-01-26 EP claimed
US-6710190-B1 ANTIEPILEPTIC, ANTIDEPRESSANT, ANXIOLYTIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANALGESIC AGENTS; NEURODEGENERATIVE AND GASTROINTESTINAL DISORDERS; IRRITABLE BOWEL SYNDROME WARNER-LAMBERT COMPANY 2004-03-23 US claimed
JP-2003500486-A 2003-01-07 JP claimed
EP-1185524-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2002-03-13 EP claimed
WO-2000073296-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO claimed
WO-2007090661-A2 ACTIVE SUBSTANCE COMBINATION COMPRISING AZOLYLCARBINOL COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-08-16 WO disclosed
EP-1185524-B1 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER LAMBERT CO (US) 2005-01-26 EP disclosed
US-6833385-B2 Thiophene derivatives; epilepsy, faintness attacks, depression, anxiety, panic, pain; neurodegenerative, neuropathological and gastrointestinal disorders WARNER-LAMBERT COMPANY 2004-12-21 US disclosed
US-20040127724-A1 3-heteroarylalkyl substituted GABA analogs YUEN PO-WAI (US) 2004-07-01 US disclosed
US-6710190-B1 ANTIEPILEPTIC, ANTIDEPRESSANT, ANXIOLYTIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANALGESIC AGENTS; NEURODEGENERATIVE AND GASTROINTESTINAL DISORDERS; IRRITABLE BOWEL SYNDROME WARNER-LAMBERT COMPANY 2004-03-23 US disclosed
EP-1185524-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2002-03-13 EP disclosed
WO-2000073296-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2000-12-07 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 (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-20040127724-A1 3-heteroarylalkyl substituted GABA analogs GABRB3, GABRB1, GABRB2 MIF 1137/4885SLC1A3 217/4885SLC1A2 127/4885

“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.