SCHEMBL4594552

SCHEMBL4594552

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CA1 P00915 9/20 0.36
CA2 P00918 9/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.32
KLK1 P06870 1/20 0.32

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
SCHEMBL19152428 0.81 CA1 (0.42) CA1CA2CA12CA9NOS3
SCHEMBL672097 0.78 CA1 (0.58) MAPTCA1CA2CA12CA9
SCHEMBL251333 0.77 TSHR (0.48) TSHRTDP1MAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL1242368 0.77 CA1 (0.56) MAPTCA1CA2CA12CA9
SCHEMBL5568466 0.77 NOS3 (0.35) CA1CA2CA12CA9NOS3
SCHEMBL28408546 0.76 NOS3 (0.33) CA1CA2CA12CA9NOS3
SCHEMBL3812152 0.75 NOS3 (0.39) CA1CA2CA12CA9NOS3
SCHEMBL4098848 0.75 CA1 (0.42) TSHRTDP1CA1CA2CA12
Bicarbonate SCHEMBL4899567 0.75 CA1 (0.55) CA1CA2CA12CA9NOS3
SCHEMBL4586536 0.74 CA1 (0.37) TSHRTDP1CA1CA2CA12

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-11970435-B2 Taste-modified creatine salts, compounds, compositions and uses thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2024-04-30 US claimed
US-20200148632-A1 TASTE-MODIFIED CREATINE SALTS, COMPOUNDS, COMPOSITIONS AND USES THEREOF AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-14 US claimed
WO-2018208647-A1 TASTE-MODIFIED CREATINE SALTS, COMPOUNDS, COMPOSITIONS AND USES THEREOF AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2018-11-15 WO claimed
US-20080254198-A1 Method of Preparing Creatine Ester Salts and Uses Thereof BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2008-10-16 US claimed
US-20080124439-A1 Nutritional supplement composition comprising creatine and method for making the same NATURALLY SCIENTIFIC, INC. 2008-05-29 US claimed
US-11970435-B2 Taste-modified creatine salts, compounds, compositions and uses thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2024-04-30 US disclosed
US-20220211651-A1 COMPOSITION CONTAINING CREATINE FATTY ESTER FOR USE IN MEDICINE Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2022-07-07 US disclosed
EP-3941221-A1 COMPOSITION CONTAINING CREATINE FATTY ESTER FOR USE IN MEDICINE Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2022-01-26 EP disclosed
US-20210128467-A1 MICRO-EMULSION CONTAINING CREATINE FATTY-ESTER, METHOD FOR PREPARING SAID MICRO-EMULSION AND USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-05-06 US disclosed
WO-2020221780-A1 COMPOSITION CONTAINING CREATINE FATTY ESTER FOR USE IN MEDICINE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-11-05 WO disclosed
EP-3732995-A1 COMPOSITION CONTAINING CREATINE FATTY ESTER FOR USE IN MEDICINE Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2020-11-04 EP disclosed
US-20200148632-A1 TASTE-MODIFIED CREATINE SALTS, COMPOUNDS, COMPOSITIONS AND USES THEREOF AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2020-05-14 US disclosed
EP-3563830-A1 MICRO-EMULSION CONTAINING CREATINE FATTY ESTER, METHOD FOR PREPARING SAID MICRO-EMULSION AND USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2019-11-06 EP disclosed
WO-2018208647-A1 TASTE-MODIFIED CREATINE SALTS, COMPOUNDS, COMPOSITIONS AND USES THEREOF AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2018-11-15 WO disclosed
US-20080124439-A1 Nutritional supplement composition comprising creatine and method for making the same NATURALLY SCIENTIFIC, INC. 2008-05-29 US 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 (4 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-20210128467-A1 MICRO-EMULSION CONTAINING CREATINE FATTY-ESTER, METHOD FOR PREPARING SAID MICRO-EMULSION AND USES THEREOF FABP7, MTTP, CETP TSHR 2649/4885TDP1 2889/4885MAPT 1339/4885
US-20220211651-A1 COMPOSITION CONTAINING CREATINE FATTY ESTER FOR USE IN MEDICINE FABP3, FABP7, CPT1B TSHR 3151/4885TDP1 1709/4885MAPT 1822/4885
US-20200148632-A1 TASTE-MODIFIED CREATINE SALTS, COMPOUNDS, COMPOSITIONS AND USES THEREOF CKMT1A; CKMT1B, TAS2R16, TAS2R4 TSHR 2082/4885TDP1 1970/4885MAPT 3377/4885
US-11970435-B2 Taste-modified creatine salts, compounds, compositions and uses thereof CKMT1A; CKMT1B, TAS2R16, TAS2R4 TSHR 2082/4885TDP1 1970/4885MAPT 3377/4885

“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.