SCHEMBL1345052

SCHEMBL1345052

COCCN=C(N)NCC[C@H](N)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 6/20 0.43
NOS1 P29475 3/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 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
SIGMAR1 Q99720 1/20 0.33
CYP3A4 P08684 1/20 0.30
ANPEP P15144 2/20 0.30
RNPEP Q9H4A4 2/20 0.30
DNPEP Q9ULA0 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
SCHEMBL1345420 0.89 DDAH1 (0.47) DDAH1NOS1NOS3NOS2GRIN2D
SCHEMBL1343488 0.85 DDAH1 (0.43) DDAH1NOS1NOS3NOS2GRIN2D
SCHEMBL1343296 0.84 DDAH1 (0.43) DDAH1NOS1NOS3NOS2GRIN2D
SCHEMBL1345153 0.83 DDAH1 (0.52) DDAH1NOS1NOS3NOS2CYP3A4
SCHEMBL1345238 0.82 DDAH1 (0.44) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1344939 0.77 SLC1A3 (0.45) DDAH1ANPEPRNPEPDNPEP
SCHEMBL1345051 0.77 HPGD (0.32) DDAH1ANPEPRNPEPDNPEP
SCHEMBL1344678 0.76 SCNN1A (0.43) DDAH1CYP3A4
SCHEMBL1345441 0.76 DDAH1 (0.50) DDAH1NOS1NOS3NOS2CYP3A4
SCHEMBL1343495 0.74 ALDH1A1 (0.41) DDAH1CYP3A4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 US 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-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 DDAH1 1/4885NOS1 581/4885NOS3 1069/4885

“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.