SCHEMBL4987374

SCHEMBL4987374

CCC(CC(C)CC1CCCCC1)C(N)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
METAP2 P50579 4/20 0.37
ALDH1A1 P00352 2/20 0.36
CPB2 Q96IY4 2/20 0.35
LTA4H P09960 1/20 0.35
ATM Q13315 1/20 0.35
METAP1 P53582 2/20 0.34
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4993384 0.99 REN (0.38) RENMETAP2ALDH1A1CPB2LTA4H
SCHEMBL4987808 0.96 REN (0.36) RENMETAP2ALDH1A1CPB2LTA4H
SCHEMBL4981462 0.93 ANPEP (0.36) REN
SCHEMBL4986842 0.87 METAP2 (0.41) RENMETAP2ALDH1A1LTA4HATM
SCHEMBL4989904 0.86 METAP2 (0.41) RENMETAP2ALDH1A1METAP1FFAR1
SCHEMBL4989377 0.85 METAP2 (0.39) RENMETAP2ALDH1A1LTA4HATM
SCHEMBL4984122 0.85 METAP2 (0.39) RENMETAP2ALDH1A1METAP1
SCHEMBL4991309 0.84 REN (0.40) RENMETAP2ALDH1A1CPB2LTA4H
SCHEMBL4993726 0.82 REN (0.38) RENMETAP2ALDH1A1CPB2LTA4H
SCHEMBL4989753 0.82 METAP2 (0.37) RENMETAP2METAP1

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
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
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
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN 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

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 REN 3028/4885METAP2 1352/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A REN 2682/4885METAP2 1042/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A REN 2912/4885METAP2 1060/4885ALDH1A1 1424/4885

“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.