SCHEMBL7097510

SCHEMBL7097510

C[N+](C)(C)C[C@@H](N)CC(=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 3/20 1.00
CPT1A P50416 3/20 1.00
SLC22A16 Q86VW1 1/20 0.61
CRAT P43155 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP2C19 P33261 2/20 0.52
RECQL P46063 1/20 0.52
CYP1A2 P05177 1/20 0.50
HRH1 P35367 1/20 0.50
SLC25A20 O43772 3/20 0.44
TP53 P04637 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CPT1B Q92523 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL3691261 1.00 CPT2 (1.00) CPT2CPT1ASLC22A16CRATMEN1
SCHEMBL3691259 1.00 CPT2 (1.00) CPT2CPT1ASLC22A16CRATMEN1
SCHEMBL13409915 0.79 CPT2 (0.65) CPT2CPT1ASLC22A16MEN1KMT2A
SCHEMBL10415626 0.79 CPT2 (0.65) CPT2CPT1ASLC22A16CRATMEN1
SCHEMBL10415627 0.79 CPT2 (0.65) CPT2CPT1ASLC22A16CRATMEN1
SCHEMBL10079589 0.79 CPT2 (0.65) CPT2CPT1ASLC22A16MEN1KMT2A
SCHEMBL10415628 0.79 CPT2 (0.65) CPT2CPT1ASLC22A16CRATMEN1
Hydrochloric Acid SCHEMBL3195175 0.77 CPT2 (0.63) CPT2CPT1ASLC22A16MEN1KMT2A
D-Carnitine SCHEMBL94286 0.76 SLC22A16 (1.00) CPT2CPT1ASLC22A16CRATMEN1
Carnitine SCHEMBL3902633 0.76 SLC22A16 (1.00) CPT2CPT1ASLC22A16CRATMEN1

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-0402322-B1 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine SIGMA TAU IND FARMACEUTI (IT) 1994-07-06 EP claimed
US-5041643-A Esterifying crotonobetaine chloride with benzyl alcohol, reacting with alpha-methylbenzylamine, resolving, removing benzyl group, forming salt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-08-20 US claimed
EP-0402322-A2 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-12-12 EP claimed
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-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-0402322-B1 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine SIGMA TAU IND FARMACEUTI (IT) 1994-07-06 EP disclosed
EP-0402322-B1 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine SIGMA TAU IND FARMACEUTI (IT) 1994-07-06 EP disclosed
US-5041643-A Esterifying crotonobetaine chloride with benzyl alcohol, reacting with alpha-methylbenzylamine, resolving, removing benzyl group, forming salt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-08-20 US disclosed
US-5041643-A Esterifying crotonobetaine chloride with benzyl alcohol, reacting with alpha-methylbenzylamine, resolving, removing benzyl group, forming salt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-08-20 US disclosed
US-5041643-A Esterifying crotonobetaine chloride with benzyl alcohol, reacting with alpha-methylbenzylamine, resolving, removing benzyl group, forming salt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-08-20 US disclosed
EP-0402322-A3 PROCESS FOR THE PRODUCTION OF R(+)-AMINOCARNITINE AND S(-)-AMINO-CARNITINE Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-01-02 EP disclosed
EP-0402322-A3 PROCESS FOR THE PRODUCTION OF R(+)-AMINOCARNITINE AND S(-)-AMINO-CARNITINE Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-01-02 EP disclosed
EP-0402322-A2 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-12-12 EP disclosed
EP-0402322-A2 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-12-12 EP disclosed
EP-0402322-A2 Process for the production of R(+)-aminocarnitine and S(-)-amino-carnitine Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-12-12 EP disclosed