Cyclocreatine

Cyclocreatine

SCHEMBL450343

N=C1NCCN1CC(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.37
ACE P12821 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.31
INMT O95050 1/20 0.31

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
Cyclocreatine SCHEMBL7935371 1.00 CYP2D6 (0.39) CYP2D6CYP2C19POLBCYP2C9KMT2A
Cyclocreatine SCHEMBL11796002 0.98 CYP2D6 (0.38) CYP2D6CYP2C19POLBCYP2C9KMT2A
Cyclocreatine SCHEMBL1980714 0.96 CYP2D6 (0.37) CYP2D6CYP2C19POLBCYP2C9KMT2A
Cyclocreatine SCHEMBL1981687 0.91 INMT (0.40) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL448277 0.89 ACE (0.39) CYP2D6CYP2C19POLBCYP2C9KMT2A
Cyclocreatine SCHEMBL936945 0.88 TSHR (0.33) CYP2D6CYP2C19POLBCYP2C9KMT2A
Cyclocreatine SCHEMBL1980609 0.83 SMN1; SMN2 (0.44) CYP2D6CYP2C19POLBCYP2C9KMT2A
SCHEMBL19719147 0.82
SCHEMBL14537232 0.82 BDKRB2 (0.33) KMT2ATSHRINMT
Cyclocreatine SCHEMBL9074350 0.82 CRBN (0.35) 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 1400 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12226382-B2 Methods for treating microglial dysfunction WASHINGTON UNIVERSITY (US) 2025-02-18 US claimed
CN-119386010-A Application of cyclocreatine in preparation of medicine for treating diffuse large B cell lymphoma 南通市第一人民医院 2025-02-07 CN 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 claimed
US-20240218051-A1 MODIFIED BINDING POLYPEPTIDES FOR OPTIMIZED DRUG CONJUGATION GENZYME CORPORATION 2024-07-04 US claimed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US claimed
EP-4373582-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER Inspirna, Inc. (US) 2024-05-29 EP claimed
CN-111328330-B Phosphoplatin compounds as immunomodulators and their therapeutic use 普罗蒙托里治疗有限公司 2024-03-08 CN claimed
US-11879004-B2 Modified binding polypeptides for optimized drug conjugation GENZYME CORPORATION (US) 2024-01-23 US claimed
US-20230391849-A1 MODIFIED BINDING POLYPEPTIDES FOR OPTIMIZED DRUG CONJUGATION GENZYME CORPORATION 2023-12-07 US claimed
CN-117089615-A Application of creatine metabolism inhibitor in killing glioma stem cells 中国科学技术大学 2023-11-21 CN claimed
WO-1995019769-A1 COMBINATIONS OF A CREATINE COMPOUND WITH A HYPERPLASTIC INHIBITORY AGENT FOR INHIBITING UNDESIRABLE CELL GROWTH AMIRA, INC. (US) 1995-07-27 WO claimed
EP-0660709-A1 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1995-07-05 EP claimed
WO-1994026261-A1 TREATING BODY PARTS SUSCEPTIBLE TO ISCHEMIA USING CREATINE ANALOGS AMIRA, INC. (US) 1994-11-24 WO claimed
WO-1994016687-A1 USE OF CREATINE OR ANALOGS FOR THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING TUMOR GROWTH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-08-04 WO claimed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US claimed
US-5321030-A Administering for treatment or prevention AMIRA, INC. (US) 1994-06-14 US claimed
EP-0557383-A1 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1993-09-01 EP claimed
WO-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 WO claimed
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 claimed
US-5091404-A Administering cyclocreatire, antiischemic agents UNIVERSITY OF CONNECTICUT, THE 1992-02-25 US 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 (6 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-11879004-B2 Modified binding polypeptides for optimized drug conjugation FCGR3B, CD2BP2, FCGR2A CYP2D6 1785/4885CYP2C19 3118/4885POLB 4109/4885
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-20240218051-A1 MODIFIED BINDING POLYPEPTIDES FOR OPTIMIZED DRUG CONJUGATION FCGR3B, CD2BP2, FCGR2A CYP2D6 1785/4885CYP2C19 3118/4885POLB 4109/4885
US-20230391849-A1 MODIFIED BINDING POLYPEPTIDES FOR OPTIMIZED DRUG CONJUGATION FCGR3B, CD2BP2, FCGR2A CYP2D6 1785/4885CYP2C19 3118/4885POLB 4109/4885
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
US-12226382-B2 Methods for treating microglial dysfunction CHRNB2, PSEN2, CX3CR1 CYP2D6 4735/4885CYP2C19 4703/4885POLB 3048/4885

“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.