SCHEMBL401875

SCHEMBL401875

CN1CCCN([C@H]2CC[C@@H](C(=O)O)CC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.47
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ PDE7A Q13946 1/20 0.34
▸ PER2 O15055 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL379628 1.00 NPY5R (0.47) NPY5RPOLBGAAKMT2AMEN1
SCHEMBL380733 0.90 NPY5R (0.46) NPY5RPOLBGAAKMT2AMEN1
SCHEMBL2132814 0.90 NPY5R (0.46) NPY5RPOLBGAAKMT2AMEN1
SCHEMBL2135137 0.90 NPY5R (0.46) NPY5RPOLBGAAKMT2AMEN1
SCHEMBL13455158 0.86 NPY5R (0.43) NPY5RPDE7APER2ADORA2A
SCHEMBL15878656 0.81 POLB (0.44) NPY5RPOLBGAAKMT2AMEN1
SCHEMBL15878658 0.81 POLB (0.44) NPY5RPOLBGAAKMT2AMEN1
SCHEMBL13208002 0.79 ADORA2A (0.42) NPY5RPDE7AADORA2A
SCHEMBL6159887 0.76 NPY5R (0.40) NPY5RPDE7AADORA2A
SCHEMBL20986527 0.75 NPY5R (0.36) NPY5RPOLBGAAALDH1A1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 — — EP claimed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 — — WO claimed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 — — EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 — — EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 — — US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 — — US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 — — US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 — — EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 — — WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 — — 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-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R NPY5R 1/4885POLB 4792/4885GAA 527/4885

“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.

Send feedback