Cyclocreatine

Cyclocreatine

SCHEMBL446535

N=C1NCCN1CC(=O)O.O=P(O)(O)O

nearest known ligand 0.36

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Cyclocreatine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ACE P12821 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 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
Cyclocreatine SCHEMBL7935371 0.93 CYP2D6 (0.39) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL450343 0.93 CYP2D6 (0.39) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL936945 0.92 TSHR (0.33) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL11796002 0.91 CYP2D6 (0.38) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL1980714 0.89 CYP2D6 (0.37) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL1981687 0.85 INMT (0.40) TSHRPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL448277 0.82 ACE (0.39) TSHRPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL19719147 0.77
SCHEMBL14537232 0.77 BDKRB2 (0.33) TSHRKMT2A
Cyclocreatine SCHEMBL9074350 0.76 CRBN (0.35) TSHRPOLBCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230248751-A1 NOVEL BIOENERGETIC/ANTI INFLAMMATORY THERAPY NOUR HEART, INC. 2023-08-10 US claimed
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 claimed
WO-2021123934-A1 CYCLOCREATINE PHOSPHATE: A NOVEL BIOENERGETIC THERAPY TO PREVENT AND TREAT ISCHEMIA-INDUCED AND AGING-RELATED CARDIOVASCULAR AND NEURODEGENERATIVE DISEASES NOUR HEART, INC. (US) 2021-06-24 WO claimed
US-20200397757-A1 CYCLOCREATINE PHOSPHATE: A NOVEL BIOENERGETIC THERAPY TO PREVENT AND TREAT ISCHEMIA-INDUCED AND AGING-RELATED CARDIOVASCULAR AND NEURODEGENERATIVE DISEASES NOUR HEART, INC. 2020-12-24 US claimed
US-8288350-B2 Methods to prevent and treat diseases NOUR HEART, INC. (US) 2012-10-16 US claimed
US-20120141391-A1 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2012-06-07 US claimed
US-20110245149-A1 METHODS TO PREVENT AND TREAT DISEASES NOUR HEART, INC. (US) 2011-10-06 US claimed
EP-2321426-A1 COMPOSITIONS FOR DETECTING CELL DEATH AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-05-18 EP claimed
US-20110085993-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2011-04-14 US claimed
WO-2001000212-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE PREVENTION AND TREATMENT OF TRANSMISSIBLE SPONGIFORM ENCEPHALOPATHIES AVICENA GROUP, INC. (US) 2001-01-04 WO claimed
WO-2001000203-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2001-01-04 WO claimed
WO-1999051097-A1 COMPOSITIONS CONTAINING A COMBINATION OF A CREATINE COMPOUND AND A SECOND AGENT AVICENA GROUP, INC. (US) 1999-10-14 WO claimed
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 claimed
US-5676978-A ANTITUMOR AGENT; SYNERGISTIC MIXTURE AMIRA, INC. (US) 1997-10-14 US claimed
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 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-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 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 (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-20120141391-A1 Use of creatine or creatine compounds for skin preservation PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20110085993-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20240327437-A1 DE NOVO Synthesis of Cyclocreatine and Subsequent Conversion to Cyclocreatine Phosphate Via a Continuous Flow Reactor (CFR) System PCK1, PNKP, PFKFB4 TSHR 1392/4885POLB 38/4885CYP2D6 983/4885

“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.