SCHEMBL672097

SCHEMBL672097

CCOC(=O)CN(C)C(=N)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.58
CA2 P00918 6/20 0.58
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
F2 P00734 3/20 0.35
F10 P00742 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL1242368 0.98 CA1 (0.56) CA1CA2CA12CA9ALOX15
Bicarbonate SCHEMBL4899567 0.96 CA1 (0.55) CA1CA2CA12CA9ALOX15
Butanedione SCHEMBL17913120 0.94 CA1 (0.53) CA1CA2CA12CA9ALOX15
Sulfuric Acid SCHEMBL2396292 0.93 CA1 (0.51) CA1CA2CA12CA9ALOX15
Pyruvate SCHEMBL4586594 0.91 CA1 (0.50) CA1CA2CA12CA9ALOX15
SCHEMBL19152428 0.88 CA1 (0.42) CA1CA2CA12CA9ALOX15
SCHEMBL4098848 0.85 CA1 (0.42) CA1CA2CA12CA9ALDH1A1
SCHEMBL4586999 0.83 CA12 (0.62) CA1CA2CA12CA9ALOX15
Malic Acid SCHEMBL31238937 0.83 CA12 (0.43) CA1CA2CA12CA9ALOX15
SCHEMBL4589521 0.82 NAAA (0.43) CA1CA2CA12CA9ALDH1A1

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 564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240138438-A1 CREATINE NUTRITIONAL SUPPLEMENT MENTER DYLAN (US) 2024-05-02 US claimed
US-11970435-B2 Taste-modified creatine salts, compounds, compositions and uses thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2024-04-30 US claimed
US-11865097-B2 Creatine nutritional supplement MENTER DYLAN (US) 2024-01-09 US claimed
US-20230233499-A1 CREATINE NUTRITIONAL SUPPLEMENT MENTER DYLAN (US) 2023-07-27 US claimed
US-11690858-B1 Neuroprotective mixture for mitigating the harmful effects of ischemic stroke TRICERAPRO HOLDING, LLC (US) 2023-07-04 US claimed
US-11642327-B2 Creatine nutritional supplement MENTER DYLAN ROBERT (US) 2023-05-09 US claimed
US-20230108723-A1 Multi-Nutrient Composition EXERKINE CORPORATION (CA) 2023-04-06 US claimed
WO-2023055751-A1 MIXED SOLVENT HYDROGEL SYSTEM FOR WOUND HEALING UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-04-06 WO claimed
US-11504413-B2 Multi-nutrient composition EXERKINE CORPORATION (CA) 2022-11-22 US claimed
US-20220323388-A1 CREATINE, ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE THEREOF YU RUEY J (US) 2022-10-13 US claimed
US-20060062853-A1 Treating neuromuscular disorders with an oral formulation of creatine derivatives MEDICAL RESEARCH INSTITUTE 2006-03-23 US claimed
EP-1324760-A4 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS REGENTS OFTHE UNIVERSITY OF NE (US) 2005-08-10 EP claimed
US-20050147620-A1 Cinnamon formulation for reducing cholesterol and/or glucose levels BOZICEVIC KARL (US) 2005-07-07 US claimed
WO-2005039539-A1 ORAL FORMULATION OF LIPID SOLUBLE THIAMINE, LIPOIC ACID, CREATINE DERIVATIVE, AND L-ARGININE α-KETOGLUTARATE MEDICAL RESEARCH INSTITUTE (US) 2005-05-06 WO claimed
US-20050085498-A1 Oral formulation of lipid soluble thiamine, lipoic acid, creatine derivative, and L-arginine alpha-ketoglutarate NATROL, INC. 2005-04-21 US claimed
WO-2004071406-A2 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-08-26 WO claimed
US-20030212130-A1 Creatine ester anti-inflammatory compounds and formulations NEBRASKA, UNIVERSITY OF MEDICAL CENTER 2003-11-13 US claimed
US-20030212136-A1 Creatine ester pronutrient compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-13 US claimed
EP-1324760-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS Board of Regents of the University of Nebraska (US) 2003-07-09 EP claimed
WO-2002022135-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2002-03-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030212130-A1 Creatine ester anti-inflammatory compounds and formulations CKMT1A; CKMT1B, CPT1B, CRAT CA1 2415/4885CA2 901/4885CA12 2492/4885
US-20050085498-A1 Oral formulation of lipid soluble thiamine, lipoic acid, creatine derivative, and L-arginine alpha-ketoglutarate SLC19A2, TKT, TTPA CA1 3643/4885CA2 2512/4885CA12 4716/4885
US-20030212136-A1 Creatine ester pronutrient compounds and formulations CKMT1A; CKMT1B, CPT1B, PYGM CA1 3674/4885CA2 3567/4885CA12 3171/4885
US-20060062853-A1 Treating neuromuscular disorders with an oral formulation of creatine derivatives TNNC1, PYGM, ATP2A3 CA1 1790/4885CA2 443/4885CA12 2097/4885
US-11970435-B2 Taste-modified creatine salts, compounds, compositions and uses thereof CKMT1A; CKMT1B, TAS2R16, TAS2R4 CA1 442/4885CA2 230/4885CA12 193/4885

“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.