Known targets — ChEMBL curated mechanism
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | INMT | O95050 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cyclocreatine SCHEMBL450343 | 0.96 | CYP2D6 (0.39) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| Cyclocreatine SCHEMBL7935371 | 0.96 | CYP2D6 (0.39) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| Cyclocreatine SCHEMBL11796002 | 0.94 | CYP2D6 (0.38) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| Cyclocreatine SCHEMBL1981687 | 0.88 | INMT (0.40) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| SCHEMBL448277 | 0.85 | ACE (0.39) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| Cyclocreatine SCHEMBL936945 | 0.85 | TSHR (0.33) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| Cyclocreatine SCHEMBL1980609 | 0.80 | SMN1; SMN2 (0.44) | CYP2D6CYP2C19POLBCYP2C9KMT2A | |
| SCHEMBL14537232 | 0.79 | BDKRB2 (0.33) | KMT2AINMTTSHR | |
| SCHEMBL19719147 | 0.79 | — | — | |
| Cyclocreatine SCHEMBL9074350 | 0.79 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7964736-B2 | Phosphagen synthesis | NOUR HEART, INC. (US) | 2011-06-21 | — | — | US | disclosed |
| US-20080242639-A1 | Cyclocreatine phosphates, e.g. 1-carboxymethyl-2-imino-3-phosphono-imidazolidine from amine derivatives by C-N formation, carboxylation, amination, cyclization, and phosphonation; industrial scale; delay ATP depletion during ischemia and restore cardiac function | NOUR HEART, INC. | 2008-10-02 | — | — | US | disclosed |
| WO-2006073923-A2 | PHOSPHAGEN SYNTHESIS | NOUR HEART, INC. (US) | 2006-07-13 | — | — | 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 (1 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080242639-A1 | Cyclocreatine phosphates, e.g. 1-carboxymethyl-2-imino-3-phosphono-imidazolidine from amine derivatives by C-N formation, carboxylation, amination, cyclization, and phosphonation; industrial scale; delay ATP depletion during ischemia and restore cardiac function | PHOSPHO1, PCK1, CKMT1A; CKMT1B | CYP2D6 3601/4885CYP2C19 1976/4885POLB 672/4885 |
“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.