SCHEMBL1345056

SCHEMBL1345056

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.41
▸ NPY1R P25929 4/20 0.41
▸ TSHR P16473 2/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NPY2R P49146 3/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22170883 0.92 NPY4R (0.39) NPY4RNPY1RTSHRFOLH1ALDH1A1
SCHEMBL10727007 0.90 NPY4R (0.38) NPY4RNPY1RTSHRALDH1A1NPY2R
SCHEMBL1344935 0.89 C3AR1 (0.38) NPY4RNPY1RTSHRFOLH1ALDH1A1
SCHEMBL8013883 0.85 NPY4R (0.42) NPY4RNPY1RTSHRFOLH1NPY2R
SCHEMBL14872112 0.84 NPY4R (0.41) NPY4RNPY1RTSHRFOLH1NPY2R
SCHEMBL28407165 0.83 TSHR (0.34) NPY4RNPY1RTSHRKMT2A
SCHEMBL22170833 0.83 TSHR (0.34) NPY4RNPY1RTSHRKMT2A
SCHEMBL23752089 0.83 EPHX1 (0.44) NPY4RNPY1R
SCHEMBL27743938 0.83 EPHX1 (0.44) NPY4RNPY1R
SCHEMBL23752090 0.83 EPHX1 (0.44) NPY4RNPY1R

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 7 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-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
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 (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 NPY4R 4658/4885NPY1R 4230/4885TSHR 4080/4885

“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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