SCHEMBL187604

SCHEMBL187604

OCCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.82
LGALS3 P17931 1/20 0.75
PDE4D Q08499 1/20 0.75
PDE4A P27815 4/20 0.58
PDE4B Q07343 4/20 0.58
PDE3B Q13370 4/20 0.58
PDE3A Q14432 4/20 0.58

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
SCHEMBL187573 0.95 PDE10A (0.84) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL7887712 0.91 PDE10A (0.91) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL7887144 0.90 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL12027370 0.90 PDE10A (0.82) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL3269746 0.89 PDE10A (0.80) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL30123155 0.89 PDE10A (0.80) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL3271247 0.88 PDE10A (0.79) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL30123420 0.88 PDE10A (0.79) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL24950836 0.87 PDE10A (0.74) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL30201958 0.87 PDE10A (0.74) PDE10ALGALS3PDE4DPDE4APDE4B

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
EP-2400991-A1 RADIOLABELLED PDE10 LIGANDS Janssen Pharmaceutica, N.V. (BE) 2012-01-04 EP disclosed
US-20110305637-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA N.V. 2011-12-15 US disclosed
US-20110305637-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA N.V. 2011-12-15 US disclosed
US-20110305637-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA N.V. 2011-12-15 US disclosed
WO-2010097367-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 WO disclosed
WO-2010097367-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 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-20110305637-A1 RADIOLABELLED PDE10 LIGANDS PDE9A, PDE10A, PDE7A PDE10A 2/4885LGALS3 2710/4885PDE4D 12/4885

“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.