SCHEMBL1984828

SCHEMBL1984828

N=C1N(CC(=O)O)CCN1P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
ACE P12821 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
Water SCHEMBL9389447 0.97 CYP2D6 (0.34) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL7819308 0.83 KDM4E (0.36) POLBKMT2ACYP1A2ALDH1A1KDM4E
Fosfocreatine SCHEMBL9073250 0.81
SCHEMBL17234253 0.80 CYP2D6 (0.44) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL9889352 0.78 INMT (0.37)
SCHEMBL12535259 0.72 LMNA (0.39) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL3070292 0.69 CYP2D6 (0.37) CYP2D6CYP2C19POLBCYP2C9KMT2A
Cyclocreatine SCHEMBL446535 0.67 TSHR (0.35) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL1981177 0.66 CYP2D6 (0.69) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL17234207 0.66 ACE (0.39) CYP2D6CYP2C19POLBCYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248751-A1 NOVEL BIOENERGETIC/ANTI INFLAMMATORY THERAPY NOUR HEART, INC. 2023-08-10 US claimed
US-20240327437-A1 DE NOVO Synthesis of Cyclocreatine and Subsequent Conversion to Cyclocreatine Phosphate Via a Continuous Flow Reactor (CFR) System NOUR HEART, INC. 2024-10-03 US disclosed
US-20240327437-A1 DE NOVO Synthesis of Cyclocreatine and Subsequent Conversion to Cyclocreatine Phosphate Via a Continuous Flow Reactor (CFR) System NOUR HEART, INC. 2024-10-03 US disclosed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
US-11761966-B2 Nourin gene-based RNA molecular network: novel early diagnostic and prognostic biomarkers for coronary artery disease, unstable angina, STEMI/NSTEMI and heart failure NOUR HEART, INC. (US) 2023-09-19 US disclosed
US-20230248751-A1 NOVEL BIOENERGETIC/ANTI INFLAMMATORY THERAPY NOUR HEART, INC. 2023-08-10 US disclosed
US-20230248751-A1 NOVEL BIOENERGETIC/ANTI INFLAMMATORY THERAPY NOUR HEART, INC. 2023-08-10 US disclosed
US-11654134-B2 Cyclocreatine phosphate: a novel bioenergetic therapy to prevent and treat ischemia-induced and aging-related cardiovascular and neurodegenerative diseases NOUR HEART, INC. (US) 2023-05-23 US disclosed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
US-20220241266-A1 COMPOSITIONS AND METHODS USING TRIGONELLINE AND HIGH PROTEIN FOR PREVENTING OR TREATING CONDITIONS OR DISORDERS IN SKELETAL MUSCLE NESTLE SA (CH) 2022-08-04 US disclosed
EP-1065931-A1 COMPOSITIONS CONTAINING A COMBINATION OF A CREATINE COMPOUND AND A SECOND AGENT Avicena Group, Inc. (US) 2001-01-10 EP disclosed
WO-1999051097-A1 COMPOSITIONS CONTAINING A COMBINATION OF A CREATINE COMPOUND AND A SECOND AGENT AVICENA GROUP, INC. (US) 1999-10-14 WO disclosed
EP-0804183-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM AVICENDA GROUP, INC. (US) 1997-11-05 EP disclosed
WO-1996014063-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM AVICENA GROUP, INC. (US) 1996-05-17 WO disclosed
EP-0660709-A1 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1995-07-05 EP disclosed
WO-1994016712-A9 CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR 1994-09-15 WO disclosed
WO-1994016712-A1 CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR AMIRA, INC. (US) 1994-08-04 WO disclosed
US-5321030-A Administering for treatment or prevention AMIRA, INC. (US) 1994-06-14 US disclosed
WO-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 WO disclosed
WO-1992008456-A2 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1992-05-29 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 (3 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 CYP2D6 2098/4885CYP2C19 2097/4885POLB 262/4885
US-20220241266-A1 COMPOSITIONS AND METHODS USING TRIGONELLINE AND HIGH PROTEIN FOR PREVENTING OR TREATING CONDITIONS OR DISORDERS IN SKELETAL MUSCLE MUSK, TNNC1, CKMT1A; CKMT1B CYP2D6 3466/4885CYP2C19 1689/4885POLB 4013/4885
US-20240327437-A1 DE NOVO Synthesis of Cyclocreatine and Subsequent Conversion to Cyclocreatine Phosphate Via a Continuous Flow Reactor (CFR) System PCK1, PNKP, PFKFB4 CYP2D6 983/4885CYP2C19 1264/4885POLB 38/4885

“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.