SCHEMBL3040254

SCHEMBL3040254

C[N+](C)(C)C(N)C(CC(=O)[O-])C(=O)NCc1ccccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
CFD P00746 2/20 0.41
F11 P03951 2/20 0.41
TPSB2 P20231 2/20 0.41
OPRK1 P41145 1/20 0.41
PLA2G1B P04054 1/20 0.41

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
SCHEMBL7715446 0.73 GAA (0.54) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL5335651 0.73 LMNA (0.57) DPP7GAAMEN1KMT2ALMNA
SCHEMBL5305401 0.73 LMNA (0.60) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL13568145 0.69 GAA (0.47) DPP7GAAMEN1KMT2ALMNA
SCHEMBL7399278 0.68 SCN9A (0.54) GAAMEN1KMT2ALMNAALDH1A1
Iodide SCHEMBL7715449 0.68 L3MBTL1 (0.58) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL7399275 0.68 SCN9A (0.54) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL10712905 0.66 LMNA (0.64) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL5092378 0.66 LMNA (0.66) DPP7GAAMEN1KMT2ALMNA
SCHEMBL13948892 0.66 ALDH1A1 (0.77) GAAMEN1KMT2ALMNAALDH1A1

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
JP-2009545549-A 2009-12-24 JP claimed
US-20090312286-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-12-17 US claimed
EP-2046734-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-04-15 EP claimed
WO-2008015081-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-02-07 WO claimed
US-20100210695-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS DARA BIOSCIENCES, INC. (US) 2010-08-19 US disclosed
US-20090312286-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-12-17 US disclosed
EP-2046734-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-04-15 EP disclosed
WO-2008015081-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-02-07 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 (2 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-20100210695-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN DISORDERS CPT1B, CPT1A, CPT2 DPP7 2343/4885GAA 1940/4885MEN1 4823/4885
US-20090312286-A1 DERIVATIVES OF 4-TRIMETHYLAMMONIUM-3-AMINOBUTYRATE AND 4-TRIMETHYLPHOSPHONIUM-3-AMINOBUTYRATE AS CPT-INHIBITORS CPT1B, CPT1A, CPT2 DPP7 160/4885GAA 1119/4885MEN1 4672/4885

“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.