SCHEMBL4009802

SCHEMBL4009802

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.42
ALDH1A1 P00352 2/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
GRIK1 P39086 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
BHMT Q93088 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
SCHEMBL4009514 0.91 PLA2G10 (0.46) PLA2G10ALDH1A1PLA2G2CITGB3ITGA2B
SCHEMBL4010272 0.88 PLA2G10 (0.41) PLA2G10ALDH1A1CACNA2D1CACNB3CACNA1C
SCHEMBL4015335 0.86 PLA2G10 (0.43) PLA2G10CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4005328 0.86 PLA2G10 (0.43) PLA2G10CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4008884 0.86 PLA2G10 (0.43) PLA2G10CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4014313 0.85 PLA2G10 (0.40) PLA2G10ALDH1A1CACNA2D1CACNB3CACNA1C
Imagabalin SCHEMBL119441 0.84 ALDH1A1 (0.43) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
Imagabalin SCHEMBL3961605 0.84 ALDH1A1 (0.43) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
Imagabalin SCHEMBL3960412 0.84 ALDH1A1 (0.43) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
Imagabalin SCHEMBL2472147 0.84 ALDH1A1 (0.43) ALDH1A1CACNA2D1CACNB3CACNA1CPGR

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-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 US claimed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP claimed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 US claimed
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 US disclosed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 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 (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-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PLA2G10 2762/4885ALDH1A1 1058/4885CACNA2D1 40/4885

“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.