SCHEMBL1344935

SCHEMBL1344935

COCCN[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ NPY4R P50391 4/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ GGT1 P19440 1/20 0.35
▸ FOLH1 Q04609 2/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ DDAH1 O94760 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OTC P00480 1/20 0.33
▸ NPY2R P49146 1/20 0.32
▸ NPY5R Q15761 1/20 0.32

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
SCHEMBL20798171 0.92 C3AR1 (0.37) C3AR1MEN1GAAKMT2ATSHR
SCHEMBL20797913 0.92 C3AR1 (0.37) C3AR1MEN1GAAKMT2ATSHR
SCHEMBL10727007 0.90 NPY4R (0.38) TSHRNPY4RNPY1RALDH1A1NPY2R
SCHEMBL1345056 0.89 NPY4R (0.41) MEN1GAAKMT2ATSHRNPY4R
SCHEMBL144726 0.85 GGT1 (0.40) C3AR1MEN1GAAKMT2ANPY4R
SCHEMBL350198 0.84 NOD1 (0.41) C3AR1MEN1GAAKMT2AGGT1
SCHEMBL350197 0.84 NOD1 (0.41) C3AR1MEN1GAAKMT2AGGT1
SCHEMBL14848982 0.83 C3AR1 (0.39) C3AR1MEN1GAAKMT2ANPY4R
SCHEMBL1149706 0.83 NOD1 (0.43) C3AR1MEN1GAAKMT2ANPY4R
SCHEMBL6429710 0.82 NOD1 (0.49) C3AR1GGT1FOLH1NOD1

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 12 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 claimed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 — — US claimed
EP-2355807-B1 INHIBITORS OF DIMETHYLARGININE DIMETHYLAMINOHYDROLASE UNIV KIEL CHRISTIAN ALBRECHTS (DE) 2018-08-22 — — EP disclosed
US-8921421-B2 Inhibitors of dimethylarginine dimethylaminohydrolase CHRISTIAN-ALBRECHTS-UNIVERSITAET ZU KIEL (DE) 2014-12-30 — — US disclosed
EP-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 — — EP disclosed
US-20110294878-A1 Inhibitors of Dimethylarginine Dimethylaminohydrolase CHRISTIAN-ALBRECHTS-UNIVERSITAET ZU KIEL (DE) 2011-12-01 — — US disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 — — US disclosed
EP-2355807-A1 INHIBITORS OF DIMETHYLARGININE DIMETHYLAMINOHYDROLASE Christian-Albrechts-Universität zu Kiel (DE) 2011-08-17 — — EP disclosed
WO-2010066239-A1 INHIBITORS OF DIMETHYLARGININE DIMETHYLAMINOHYDROLASE CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2010-06-17 — — WO 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
EP-1828109-A2 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Business PLC (GB) 2007-09-05 — — EP disclosed
WO-2006051314-A2 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2006-05-18 — — 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 (2 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-20110294878-A1 Inhibitors of Dimethylarginine Dimethylaminohydrolase DDAH1, PADI1, DOHH C3AR1 606/4885MEN1 2354/4885GAA 2028/4885
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 C3AR1 2610/4885MEN1 2705/4885GAA 47/4885

“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.

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