SCHEMBL3993602

SCHEMBL3993602

C[C@@H](CC[C@H](N)CC(=O)O)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.38
ENPEP Q07075 2/20 0.38
DPP4 P27487 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.36
CPB2 Q96IY4 2/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
BHMT Q93088 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL3997932 1.00 ANPEP (0.38) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3998080 1.00 ANPEP (0.38) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3994738 0.98 ALDH1A1 (0.39) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3996141 0.98 ALDH1A1 (0.39) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3996436 0.98 ALDH1A1 (0.39) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3994568 0.97 ANPEP (0.38) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3994863 0.97 ANPEP (0.38) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3997853 0.97 ANPEP (0.38) ANPEPENPEPDPP4ALDH1A1LTA4H
SCHEMBL3997954 0.93 ANPEP (0.44) ANPEPENPEPALDH1A1LTA4HBHMT
SCHEMBL4000456 0.93 ANPEP (0.44) ANPEPENPEPALDH1A1LTA4HBHMT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 US disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 US disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 477/4885ENPEP 1779/4885DPP4 2855/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A ANPEP 586/4885ENPEP 1440/4885DPP4 2698/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 477/4885ENPEP 1779/4885DPP4 2855/4885

“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.