SCHEMBL448277

SCHEMBL448277

N=C1NCCCN1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.39
ALDH1A1 P00352 2/20 0.37
INMT O95050 1/20 0.36
TSHR P16473 1/20 0.35
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
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.89 CYP2D6 (0.39) ACEALDH1A1INMTTSHRPOLB
Cyclocreatine SCHEMBL450343 0.89 CYP2D6 (0.39) ACEALDH1A1INMTTSHRPOLB
Cyclocreatine SCHEMBL11796002 0.87 CYP2D6 (0.38) ACEALDH1A1INMTTSHRPOLB
Cyclocreatine SCHEMBL1980714 0.85 CYP2D6 (0.37) ACEALDH1A1INMTTSHRPOLB
Cyclocreatine SCHEMBL1981687 0.81 INMT (0.40) ACEINMTTSHRPOLBCYP2D6
Cyclocreatine SCHEMBL936945 0.78 TSHR (0.33) ACETSHRPOLBCYP2D6CYP2C9
SCHEMBL17234205 0.74 ALDH1A1 (0.38) ACEALDH1A1TSHRPOLBCYP2D6
SCHEMBL18528340 0.74 ALDH1A1 (0.38) ACEALDH1A1TSHRPOLBCYP2D6
SCHEMBL18528341 0.74 ALDH1A1 (0.38) ACEALDH1A1TSHRPOLBCYP2D6
Cyclocreatine SCHEMBL1980609 0.74 SMN1; SMN2 (0.44) ALDH1A1TSHRPOLBCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373582-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER Inspirna, Inc. (US) 2024-05-29 EP claimed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 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
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-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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
EP-4373582-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER Inspirna, Inc. (US) 2024-05-29 EP disclosed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
WO-1994016712-A1 CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR AMIRA, INC. (US) 1994-08-04 WO disclosed
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 disclosed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US disclosed
US-5321030-A Administering for treatment or prevention AMIRA, INC. (US) 1994-06-14 US disclosed
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 disclosed
WO-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 WO disclosed
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 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 ACE 1330/4885ALDH1A1 1159/4885INMT 1579/4885

“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.