SCHEMBL4994657

SCHEMBL4994657

CCCCC(C)CC(CC)C(N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
GPR84 Q9NQS5 4/20 0.39
CA2 P00918 3/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
BHMT Q93088 1/20 0.37
CA1 P00915 2/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
SLC15A1 P46059 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4990003 0.90 BHMT (0.39) SLC1A2SLC1A1SLC1A3GPR84BHMT
SCHEMBL4993497 0.85 SLC1A3 (0.39) SLC1A2SLC1A1SLC1A3BHMT
SCHEMBL4987985 0.84 BHMT (0.39) SLC1A2SLC1A1SLC1A3BHMT
SCHEMBL4990590 0.83 SLC1A2 (0.42) SLC1A2SLC1A1SLC1A3GPR84CA2
SCHEMBL4989613 0.81 CACNA2D1 (0.43) SLC1A2SLC1A1SLC1A3BHMT
SCHEMBL4986558 0.80 GPR84 (0.41) SLC1A2SLC1A1SLC1A3GPR84CA2
SCHEMBL2909702 0.80 S1PR2 (0.46) SLC1A2SLC1A1SLC1A3GPR84CA2
SCHEMBL6755428 0.80 GPR84 (0.52) SLC1A2SLC1A1GPR84S1PR2S1PR1
SCHEMBL3958660 0.80 S1PR2 (0.46) SLC1A2SLC1A1SLC1A3GPR84CA2
SCHEMBL584298 0.80 S1PR2 (0.46) SLC1A2SLC1A1SLC1A3GPR84CA2

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 8 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 SLC1A2 57/4885SLC1A1 106/4885SLC1A3 118/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC1A2 42/4885SLC1A1 111/4885SLC1A3 128/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A2 29/4885SLC1A1 91/4885SLC1A3 104/4885

“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.