SCHEMBL1758627

SCHEMBL1758627

COC(=O)Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2cccc(C)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.49
PDE4B Q07343 7/20 0.47
PDE4A P27815 6/20 0.47
PDE3B Q13370 5/20 0.47
PDE3A Q14432 5/20 0.47
TGFBR1 P36897 1/20 0.40

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
SCHEMBL1758543 0.86 PDE10A (0.58) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758598 0.85 PDE10A (0.53) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758625 0.84 PDE10A (0.52) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758454 0.83 PDE10A (0.55) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1759050 0.81 PDE10A (0.51) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758497 0.81 PDE10A (0.51) PDE10A
SCHEMBL6872912 0.80 PDE10A (0.51) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758462 0.80 SMN1; SMN2 (0.39) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1424277 0.76 PDE10A (0.49) PDE10A
SCHEMBL15906362 0.74 PDE10A (0.37) PDE10APDE4BPDE4APDE3BPDE3A

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
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
EP-2493513-A1 RADIOLABELLED PDE10 LIGANDS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
WO-2011051324-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011051324-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20120213703-A1 RADIOLABELLED PDE10 LIGANDS PDE9A, PDE10A, PDE7A PDE10A 2/4885PDE4B 7/4885PDE4A 6/4885

“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.