SCHEMBL1345236

SCHEMBL1345236

CCCCOC(=O)[C@@H](N)CCNC(=N)NCCOC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.39
DPP7 Q9UHL4 2/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 7/20 0.36
MARS1 P56192 2/20 0.35
RRM1 P23921 1/20 0.35
ALDH1A1 P00352 1/20 0.34
S1PR2 O95136 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 1/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1343294 0.92 MARS1 (0.36) NOD1DPP7CNR1MARS1RRM1
SCHEMBL1343485 0.87 HPGD (0.36) NOD1MARS1ALDH1A1
SCHEMBL1345418 0.86 HPGD (0.35) MARS1ALDH1A1
SCHEMBL1345051 0.81 HPGD (0.32) MARS1ALDH1A1MAPT
SCHEMBL1345150 0.80 DDAH1 (0.42) ALDH1A1
SCHEMBL1345238 0.78 DDAH1 (0.44) NOD1DPP7ACHE
SCHEMBL4167389 0.76 DPP7 (0.46) NOD1DPP7ACHERRM1
SCHEMBL578523 0.76 DPP7 (0.46) NOD1DPP7ACHERRM1
SCHEMBL1344938 0.76 SLC1A3 (0.47) DPP7ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10727145 0.75 DPP7 (0.45) NOD1DPP7ACHERRM1

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 NOD1 2690/4885DPP7 560/4885CNR1 3444/4885

“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.