Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
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 SCHEMBL7935371 | 0.83 | CYP2D6 (0.39) | TSHRCYP2D6CYP2C19POLBKMT2A | |
| Cyclocreatine SCHEMBL450343 | 0.83 | CYP2D6 (0.39) | TSHRCYP2D6CYP2C19POLBKMT2A | |
| Cyclocreatine SCHEMBL11796002 | 0.82 | CYP2D6 (0.38) | TSHRCYP2D6CYP2C19POLBKMT2A | |
| Cyclocreatine SCHEMBL1980714 | 0.80 | CYP2D6 (0.37) | TSHRCYP2D6CYP2C19POLBKMT2A | |
| SCHEMBL448277 | 0.74 | ACE (0.39) | SMN1; SMN2TSHRCYP2D6CYP2C19POLB | |
| Cyclocreatine SCHEMBL936945 | 0.74 | TSHR (0.33) | TSHRCYP2D6CYP2C19POLBKMT2A | |
| SCHEMBL246385 | 0.69 | SIGMAR1 (0.48) | SMN1; SMN2TSHRCYP2D6CYP2C19POLB | |
| SCHEMBL19719147 | 0.69 | — | — | |
| SCHEMBL14537232 | 0.69 | BDKRB2 (0.33) | SMN1; SMN2TSHRKMT2A | |
| Malonic Acid SCHEMBL20594155 | 0.68 | SMN1; SMN2 (0.73) | SMN1; SMN2TSHRCYP2D6CYP2C19POLB |
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 | SMN1; SMN2 1584/4885TSHR 4072/4885CYP2D6 3601/4885 |
“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.