SCHEMBL3586820

SCHEMBL3586820

NCCNC(=O)C(N)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
LTA4H P09960 2/20 0.47
SPHK2 Q9NRA0 1/20 0.45
TACR1 P25103 2/20 0.44
MMP2 P08253 1/20 0.44
SLC1A3 P43003 1/20 0.42
LMNA P02545 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL1576805 0.85 SLC1A1 (0.55) SLC1A1SMN1; SMN2HTTTACR1CA1
SCHEMBL14580892 0.84 SLC1A1 (0.54) SLC1A1SMN1; SMN2HTTLTA4HTACR1
SCHEMBL13165228 0.84 SLC1A1 (0.54) SLC1A1SMN1; SMN2HTTLTA4HTACR1
SCHEMBL5209733 0.84 SLC1A1 (0.48) SLC1A1SMN1; SMN2HTTLTA4HTACR1
SCHEMBL3580682 0.84 HTT (0.50) SLC1A1SMN1; SMN2HTTTACR1
SCHEMBL23740204 0.84 SLC1A1 (0.48) SLC1A1SMN1; SMN2HTTTACR1CA1
SCHEMBL3580688 0.84 HTT (0.50) SLC1A1SMN1; SMN2HTTTACR1
SCHEMBL13943518 0.82 SLC1A1 (0.46) SLC1A1SMN1; SMN2HTTCA2
SCHEMBL27232206 0.81 SLC1A1 (0.56) SLC1A1SMN1; SMN2HTTLTA4HTACR1
SCHEMBL27228895 0.81 SLC1A1 (0.56) SLC1A1SMN1; SMN2HTTLTA4HTACR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US claimed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP claimed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO claimed
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 SLC1A1 465/4885SMN1; SMN2 2171/4885HTT 1383/4885

“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.