SCHEMBL4989753

SCHEMBL4989753

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
MAPT P10636 1/20 0.36
METAP1 P53582 1/20 0.34
BHMT Q93088 1/20 0.33
REN P00797 4/20 0.31
HMGCR P04035 2/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL4984122 0.97 METAP2 (0.39) METAP2MAPTMETAP1BHMTREN
SCHEMBL4989904 0.96 METAP2 (0.41) METAP2MAPTMETAP1BHMTREN
SCHEMBL4987518 0.94 MAPT (0.40) METAP2MAPTBHMTRENDPP8
SCHEMBL4981822 0.87 METAP1 (0.38) METAP2MAPTMETAP1BHMTHMGCR
SCHEMBL4987808 0.86 REN (0.36) METAP2METAP1BHMTRENSLC1A3
SCHEMBL4989148 0.85 METAP2 (0.36) METAP2MAPTMETAP1BHMTREN
SCHEMBL4993143 0.84 METAP1 (0.41) METAP2MAPTMETAP1HMGCRSLC1A3
SCHEMBL4993384 0.83 REN (0.38) METAP2METAP1BHMTRENSLC1A3
SCHEMBL4986911 0.83 METAP1 (0.44) METAP2MAPTMETAP1SLC1A3SLC1A2
SCHEMBL4987374 0.82 REN (0.40) METAP2METAP1REN

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

“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.