SCHEMBL4628210

SCHEMBL4628210

CCCN(CC(=O)O)C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.42
GRIN3B O60391 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
GRIN2B Q13224 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN3A Q8TCU5 5/20 0.42
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4628386 0.88 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4629114 0.86 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2903323 0.85 GPR84 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2105502 0.85 GPR84 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28206109 0.83 CA12 (0.43) CA12CA2CA9TSHRMAPK1
SCHEMBL938369 0.83 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7167424 0.82 TDP1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18073002 0.81 TDP1 (0.37) TSHRTDP1EYA2APPACE
SCHEMBL1793751 0.79 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1793755 0.79 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 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
US-20230248751-A1 NOVEL BIOENERGETIC/ANTI INFLAMMATORY THERAPY NOUR HEART, INC. 2023-08-10 US 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
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US disclosed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP disclosed
US-6706764-B2 TREATMENT OF DIABETIC AND TOXIC NEUROPATHIES, PERIPHERAL NERVOUS SYSTEM DISEASES, ALZHEIMER DISEASE, PARKINSON'S DISEASE, STROKE, HUNTINGTON'S DISEASE, AMYOTROPIC LATERAL SCLEROSIS AVICENA GROUP, INC. 2004-03-16 US disclosed
US-6706764-B2 TREATMENT OF DIABETIC AND TOXIC NEUROPATHIES, PERIPHERAL NERVOUS SYSTEM DISEASES, ALZHEIMER DISEASE, PARKINSON'S DISEASE, STROKE, HUNTINGTON'S DISEASE, AMYOTROPIC LATERAL SCLEROSIS AVICENA GROUP, INC. 2004-03-16 US disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 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
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-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 (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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 GRIN2D 2979/4885GRIN3B 1646/4885GRIN1 1820/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 GRIN2D 3558/4885GRIN3B 1915/4885GRIN1 1725/4885
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 GRIN2D 4863/4885GRIN3B 4414/4885GRIN1 4714/4885

“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.