SCHEMBL7055852

SCHEMBL7055852

CCCC(CC)C(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A2 P43004 5/20 0.45
SLC1A1 P43005 5/20 0.45
SLC1A3 P43003 4/20 0.45
GRIK1 P39086 3/20 0.45
GRIK2 Q13002 3/20 0.45
METAP1 P53582 1/20 0.43
SLC7A5 Q01650 1/20 0.42
CA2 P00918 1/20 0.40

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
Hydrochloric Acid SCHEMBL7059468 0.98 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7053586 0.98 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6760745 0.91 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4774070 0.87 CA2 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL27637001 0.87 CA2 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL29634861 0.87 CA2 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL1168875 0.85 SLC7A5 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL755924 0.85 SLC7A5 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7420375 0.85 SLC7A5 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28319949 0.83 SLC7A5 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
US-20030229145-A1 Pain treatment methods and compositions GRUENENTHAL GMBH (DE) 2003-12-11 US claimed
EP-1326826-A1 USE OF AMINO ACIDS FOR TREATING PAIN Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030871-A1 USE OF AMINO ACIDS FOR TREATING PAIN Grünenthal GmbH (DE) 2002-04-18 WO claimed
US-20150196895-A1 CO2 SORPTION BY SUPPORTED AMINO ACID IONIC LIQUIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2015-07-16 US disclosed
US-20150196895-A1 CO2 SORPTION BY SUPPORTED AMINO ACID IONIC LIQUIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2015-07-16 US disclosed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed
US-20030229145-A1 Pain treatment methods and compositions GRUENENTHAL GMBH (DE) 2003-12-11 US disclosed
EP-1326826-A1 USE OF AMINO ACIDS FOR TREATING PAIN Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030871-A1 USE OF AMINO ACIDS FOR TREATING PAIN Grünenthal GmbH (DE) 2002-04-18 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-20030229145-A1 Pain treatment methods and compositions AADAT, BCAT2, BCAT1 CHRM1 3602/4885AKR1A1 4191/4885CHRM3 1535/4885

“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.