SCHEMBL4989904

SCHEMBL4989904

CCC(CC(C)CCC1CCCCC1)C(N)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.39
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
REN P00797 1/20 0.34
BCHE P06276 1/20 0.33
HMGCR P04035 1/20 0.32
BHMT Q93088 1/20 0.32
FFAR1 O14842 1/20 0.32

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 0.99 METAP2 (0.39) METAP2METAP1MAPTALDH1A1REN
SCHEMBL4989753 0.96 METAP2 (0.37) METAP2METAP1MAPTRENHMGCR
SCHEMBL4987518 0.93 MAPT (0.40) METAP2MAPTRENBHMT
SCHEMBL4986911 0.88 METAP1 (0.44) METAP2METAP1MAPTALDH1A1FFAR1
SCHEMBL4987374 0.86 REN (0.40) METAP2METAP1ALDH1A1RENFFAR1
SCHEMBL4993143 0.86 METAP1 (0.41) METAP2METAP1MAPTALDH1A1HMGCR
SCHEMBL4990117 0.85 METAP1 (0.42) METAP2METAP1MAPTALDH1A1REN
SCHEMBL4993384 0.85 REN (0.38) METAP2METAP1ALDH1A1RENBHMT
SCHEMBL4986469 0.83 METAP1 (0.40) METAP2METAP1MAPTALDH1A1REN
SCHEMBL4981822 0.83 METAP1 (0.38) METAP2METAP1MAPTALDH1A1HMGCR

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.