SCHEMBL4989148

SCHEMBL4989148

CC(CCC1CCC1)CC(C)C(N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
MAPT P10636 1/20 0.35
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
BHMT Q93088 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
REN P00797 3/20 0.30
ITGB3 P05106 3/20 0.30
ITGA2B P08514 3/20 0.30
F2R P25116 2/20 0.30
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
SCHEMBL4986469 0.97 METAP1 (0.40) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL4990117 0.96 METAP1 (0.42) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL4993061 0.94 MAPT (0.40) METAP2METAP1MAPTBHMTCACNA2D1
SCHEMBL3995611 0.88 METAP1 (0.40) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL3993921 0.88 METAP1 (0.40) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL4000929 0.88 METAP1 (0.40) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL3955384 0.85 METAP1 (0.38) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL4988209 0.85 REN (0.35) METAP2METAP1SLC1A3SLC1A2SLC1A1
SCHEMBL3958233 0.85 METAP1 (0.38) METAP2METAP1MAPTSLC1A3SLC1A2
SCHEMBL3962889 0.85 METAP1 (0.38) METAP2METAP1MAPTSLC1A3SLC1A2

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 METAP2 1352/4885METAP1 1825/4885MAPT 908/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A METAP2 1042/4885METAP1 1443/4885MAPT 745/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A METAP2 1060/4885METAP1 1583/4885MAPT 1029/4885

“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.