SCHEMBL4994607

SCHEMBL4994607

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 4/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4990868 0.89 GPR84 (0.41) ALDH1A1GPR84SLC1A3SLC1A2SLC1A1
SCHEMBL4981798 0.88 GABRR1 (0.33) GPR84SLC1A3SLC1A2SLC1A1ADRA1A
SCHEMBL4983414 0.86 SLC1A3 (0.36) GPR84SLC1A3SLC1A2SLC1A1ADRA1A
SCHEMBL4986219 0.81 ALDH1A1 (0.41) METAP1ALDH1A1GPR84SLC1A3SLC1A2
SCHEMBL4986477 0.81 METAP1 (0.37) METAP1ALDH1A1GPR84SLC1A3SLC1A2
SCHEMBL4984251 0.80 CACNA2D1 (0.43) SLC1A3SLC1A2SLC1A1ADRA1AGABRP
SCHEMBL2327830 0.79 METAP1 (0.41) METAP1ALDH1A1GPR84SLC1A3SLC1A2
SCHEMBL5374127 0.78 SLC22A6 (0.38) GPR84SLC1A3SLC1A2SLC1A1ADRA1A
SCHEMBL4991474 0.77 METAP1 (0.39) METAP1ALDH1A1GPR84SLC1A3SLC1A2
SCHEMBL4988061 0.76 GABRP (0.37) SLC1A3SLC1A2SLC1A1ADRA1ATDP1

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
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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (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 METAP1 1825/4885ALDH1A1 1484/4885GPR84 1112/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A METAP1 1443/4885ALDH1A1 1627/4885GPR84 1267/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A METAP1 1583/4885ALDH1A1 1424/4885GPR84 1241/4885

“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.