Cyclocreatine

Cyclocreatine

SCHEMBL936945

N=C1NCCN1CC(=O)O.O=P([O-])([O-])O.[Li+].[Li+]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

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 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31
ACE P12821 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 SCHEMBL446535 0.92 TSHR (0.35) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL7935371 0.88 CYP2D6 (0.39) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL450343 0.88 CYP2D6 (0.39) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL11796002 0.87 CYP2D6 (0.38) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL1980714 0.85 CYP2D6 (0.37) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL1981687 0.81 INMT (0.40) TSHRPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL448277 0.78 ACE (0.39) TSHRPOLBCYP2D6CYP2C9CYP2C19
Cyclocreatine SCHEMBL1980609 0.74 SMN1; SMN2 (0.44) TSHRPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL14537232 0.73 BDKRB2 (0.33) TSHRKMT2A
SCHEMBL19719147 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141391-A1 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2012-06-07 US disclosed
EP-2327404-A1 Use of creatine or creatine analogs for the treatment of diseases of the nervous system Avicena Group, Inc. (US) 2011-06-01 EP disclosed
US-20110085993-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2011-04-14 US disclosed
US-20110021632-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2011-01-27 US disclosed
US-20110008272-A1 Use of Creatine or Creatine Compounds for Skin Preservation AVICENA GROUP, INC. (US) 2011-01-13 US disclosed
US-20100329997-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2010-12-30 US disclosed
US-20100303840-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM AVICENA GROUP, INC. (US) 2010-12-02 US disclosed
US-20100226870-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2010-09-09 US disclosed
US-20090105196-A1 USE OF CREATINE COMPOUNDS TO TREAT DERMATITIS AVICENA GROUP, INC. 2009-04-23 US disclosed
US-20090005450-A1 Use of creatine compounds for the treatment of eye disorders AVICENA GROUP, INC. 2009-01-01 US disclosed
US-20020049253-A1 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. 2002-04-25 US disclosed
EP-1198230-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION Avicena Group, Inc. (US) 2002-04-24 EP disclosed
WO-2001055719-A2 DIAGNOSTIC KIT FOR DETECTING CREATINE LEVELS FAL DIAGNOSTICS (US) 2001-08-02 WO disclosed
US-6242491-B1 ADMINISTERING CREATINE PHOSPHATE FOR WRINKLE, AGING, AND SOLAR RADIATION RESISTANCE AND AS FREE RADICAL SCAVENGER LIBRARY PHARMA, INC. 2001-06-05 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-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 disclosed
WO-2001000203-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2001-01-04 WO 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

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

For each of this compound's patents that has machine-readable text (10 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-20110008272-A1 Use of Creatine or Creatine Compounds for Skin Preservation PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20120141391-A1 Use of creatine or creatine compounds for skin preservation PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20100329997-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20090105196-A1 USE OF CREATINE COMPOUNDS TO TREAT DERMATITIS CKMT1A; CKMT1B, CRAT, LRAT TSHR 4507/4885POLB 1269/4885CYP2D6 872/4885
US-20100303840-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM CKMT1A; CKMT1B, PC, PCK2 TSHR 2432/4885POLB 611/4885CYP2D6 3294/4885
US-20110021632-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20100226870-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION PC, CKMT1A; CKMT1B, CHEK1 TSHR 3321/4885POLB 352/4885CYP2D6 2505/4885
US-20020049253-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-20090005450-A1 Use of creatine compounds for the treatment of eye disorders ALDH1A2, RXFP1, RBP4 TSHR 1436/4885POLB 3435/4885CYP2D6 3427/4885

“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.