SCHEMBL1817699

SCHEMBL1817699

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.44
METAP2 P50579 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5 P09917 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
F2R P25116 1/20 0.33
DPP4 P27487 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
SCHEMBL1814190 1.00 METAP1 (0.44) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3994705 1.00 METAP1 (0.44) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3996259 0.98 METAP1 (0.41) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL4001294 0.98 METAP1 (0.41) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL4000605 0.98 METAP1 (0.41) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3995115 0.95 MAPT (0.40) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3994822 0.95 MAPT (0.40) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3996226 0.95 MAPT (0.40) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3996439 0.92 MAPT (0.45) METAP1METAP2MAPTALDH1A1SLC1A3
SCHEMBL3995072 0.92 MAPT (0.45) METAP1METAP2MAPTALDH1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US disclosed
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
EP-1670452-A2 METHOD OF USE OF AMINOACIDS HAVING AFFINITY FOR THE A2D PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 US disclosed
EP-1614675-A2 Amino acids with affinity for the alpha-2-delta protein Warner-Lambert Company LLC (US) 2006-01-11 EP disclosed
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein BARTA NANCY SUE 2005-12-08 US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 US disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 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 (7 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 METAP1 1286/4885METAP2 651/4885MAPT 1415/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A METAP1 809/4885METAP2 371/4885MAPT 1240/4885
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A METAP1 1550/4885METAP2 859/4885MAPT 878/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A METAP1 1539/4885METAP2 957/4885MAPT 646/4885
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 METAP1 877/4885METAP2 332/4885MAPT 2484/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG METAP1 2853/4885METAP2 1239/4885MAPT 3148/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A METAP1 1286/4885METAP2 651/4885MAPT 1415/4885

“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.