SCHEMBL4989613

SCHEMBL4989613

CCC(CC(C)CC(C)C)C(N)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.43
CACNB3 P54284 1/20 0.43
CACNA1C Q13936 1/20 0.43
PGR P06401 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CACNA2D2 Q9NY47 1/20 0.43
SLC7A5 Q01650 1/20 0.39
BHMT Q93088 1/20 0.37
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 1/20 0.32
MME P08473 2/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31

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
SCHEMBL4987985 0.89 BHMT (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4993497 0.86 SLC1A3 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4990003 0.84 BHMT (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4994657 0.81 SLC1A2 (0.40) BHMTSLC1A3SLC1A2SLC1A1
SCHEMBL5374127 0.80 SLC22A6 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4987337 0.80 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4986054 0.80 CACNA2D1 (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4991054 0.79 CACNA2D1 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4986534 0.79 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4981462 0.79 ANPEP (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 CACNA2D1 68/4885CACNB3 54/4885CACNA1C 27/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CACNA2D1 79/4885CACNB3 51/4885CACNA1C 26/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CACNA2D1 73/4885CACNB3 48/4885CACNA1C 28/4885

“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.