SCHEMBL4986469

SCHEMBL4986469

CC(CCC1CCCC1)CC(C)C(N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.40
METAP2 P50579 1/20 0.39
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HMGCR P04035 1/20 0.32
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32
BHMT Q93088 1/20 0.32
REN P00797 1/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
BCHE P06276 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
SCHEMBL4990117 0.99 METAP1 (0.42) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL4989148 0.97 METAP2 (0.36) METAP1METAP2MAPTALDH1A1HMGCR
SCHEMBL4993061 0.94 MAPT (0.40) METAP1METAP2MAPTBHMT
SCHEMBL3992081 0.88 METAP1 (0.44) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3994993 0.88 METAP1 (0.44) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3995754 0.88 METAP1 (0.44) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3997942 0.86 METAP1 (0.46) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3999207 0.86 METAP1 (0.46) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3997976 0.86 METAP1 (0.46) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL4993726 0.85 REN (0.38) METAP1METAP2ALDH1A1SLC1A3SLC1A2

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