SCHEMBL4011567

SCHEMBL4011567

CC(CCN)CC(=O)NCC(CC(=O)O)C(C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
BHMT Q93088 1/20 0.32
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30

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
SCHEMBL4011560 0.87 MME (0.31) GABRR1BHMT
SCHEMBL4011757 0.86 GABRR1 (0.30) GABRR1
SCHEMBL4008926 0.84 DPP7 (0.33)
SCHEMBL4010382 0.83 MMP2 (0.37) GABRR1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4014985 0.83 MMP2 (0.37) GABRR1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4015383 0.81 ALDH1A1 (0.33) GABRR1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4010378 0.77 CACNA2D1 (0.51) GABRR1BHMTCACNA2D1CACNB3CACNA1C
SCHEMBL4014259 0.74 CACNA2D1 (0.38) GABRR1BHMTCACNA2D1CACNB3CACNA1C
SCHEMBL4009949 0.73 CACNA2D1 (0.37) GABRR1BHMTCACNA2D1CACNB3CACNA1C
SCHEMBL4006933 0.73 ECE1 (0.35) 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
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 GABRR1 649/4885BHMT 4010/4885CACNA2D1 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.