SCHEMBL4339313

SCHEMBL4339313

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRAT P43155 1/20 1.00
▸ CPT2 P23786 3/20 0.58
▸ CPT1A P50416 3/20 0.58
▸ CPT1B Q92523 2/20 0.58
▸ SLC22A16 Q86VW1 1/20 0.53
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL5712374 1.00 CRAT (1.00) CRATCPT2CPT1ACPT1BSLC22A16
SCHEMBL5712398 1.00 CRAT (1.00) CRATCPT2CPT1ACPT1BSLC22A16
Hydrochloric Acid SCHEMBL10415561 0.81 CRAT (0.68) CRATCPT2CPT1ACPT1BMEN1
Hydrochloric Acid SCHEMBL10415560 0.81 CRAT (0.68) CRATCPT2CPT1ACPT1BMEN1
Hydrochloric Acid SCHEMBL10415559 0.81 CRAT (0.68) CRATCPT2CPT1ACPT1BMEN1
SCHEMBL24634587 0.79 CPT2 (0.69) CRATCPT2CPT1ACPT1BSLC22A16
SCHEMBL14070123 0.78 CRAT (0.63) CRATCPT2CPT1ACPT1BSLC22A16
SCHEMBL24634589 0.78 CRAT (0.63) CRATCPT2CPT1ACPT1BSLC22A16
SCHEMBL24634585 0.76 CRAT (0.61) CRATCPT2CPT1ACPT1BSLC22A16
SCHEMBL3679268 0.75 CRAT (0.58) CRATCPT2CPT1ACPT1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287523-B1 PROCESS FOR PRODUCING (-) N-ACETYLAMINOCARNITINE AND (+) N-ACETYLAMINOCARNITINE SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1993-06-09 — — EP claimed
EP-0287523-A2 Process for producing (-) N-acetylaminocarnitine and (+) N-acetylaminocarnitine SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-10-19 — — EP claimed
EP-1581475-B1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID SIGMA TAU IND FARMACEUTI (IT) 2009-09-16 — — EP disclosed
EP-1581475-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-10-05 — — EP disclosed
US-6822115-B2 VIA DIRECT HYDROLYSIS OF THE CHIRAL AMINOCARNITINE ESTER IN AN ACIDIC MILIEU TO YIELD A CHIRAL AMINOCARNITINE INNER SALT WITHOUT PURIFYING THE INTERMEDIATE PRODUCTS; PURITY OF >99%; RESOLUTION; ENZYME INHIBITOR OF CARNITINE PALMOYL TRANSFERASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-23 — — US disclosed
WO-2004063143-A1 SYNTHESIS FO (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-29 — — WO disclosed
EP-1194398-B1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID SIGMA TAU IND FARMACEUTI (IT) 2003-08-27 — — EP disclosed
US-20030153783-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2003-08-14 — — US disclosed
US-20030153784-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-08-14 — — US disclosed
US-6528684-B1 Blocking amino group, cyclizing to anhydride, decarbonylation lactonation, hydrolysis, dehydroxylation quaternation using trimethyl ammonium halide, converting to internal carboxylic amine salt and deblocking SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-03-04 — — US disclosed
EP-1194398-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2002-04-10 — — EP disclosed
WO-2001002341-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-01-11 — — WO disclosed
EP-0287523-B1 PROCESS FOR PRODUCING (-) N-ACETYLAMINOCARNITINE AND (+) N-ACETYLAMINOCARNITINE SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1993-06-09 — — EP disclosed
EP-0287523-B1 PROCESS FOR PRODUCING (-) N-ACETYLAMINOCARNITINE AND (+) N-ACETYLAMINOCARNITINE SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1993-06-09 — — EP disclosed
EP-0287523-A2 Process for producing (-) N-acetylaminocarnitine and (+) N-acetylaminocarnitine SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-10-19 — — EP disclosed
EP-0287523-A2 Process for producing (-) N-acetylaminocarnitine and (+) N-acetylaminocarnitine SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-10-19 — — EP disclosed
EP-0287523-A2 Process for producing (-) N-acetylaminocarnitine and (+) N-acetylaminocarnitine SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-10-19 — — EP 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-20030153784-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid BCAT1, BCAT2, DDC CRAT 229/4885CPT2 2181/4885CPT1A 1088/4885
US-20030153783-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid BCAT1, BCAT2, DDC CRAT 229/4885CPT2 2181/4885CPT1A 1088/4885

“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.

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