SCHEMBL5454991

SCHEMBL5454991

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccccc3)C4)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
CNR2 P34972 9/20 0.45
APEX1 P27695 1/20 0.41
CXCR6 O00574 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL14410858 1.00 PDE10A (0.49) PDE10ACNR2APEX1CXCR6ROCK2
SCHEMBL5456328 0.96 PDE10A (0.49) PDE10ACNR2APEX1CXCR6ROCK2
SCHEMBL14412137 0.92 PDE10A (0.48) PDE10ACNR2ROCK2ROCK1
SCHEMBL14412205 0.92 PDE10A (0.46) PDE10ACNR2CXCR6
SCHEMBL5442810 0.92 CNR2 (0.45) PDE10ACNR2
SCHEMBL14411346 0.92 CNR2 (0.45) PDE10ACNR2
SCHEMBL14410860 0.92 CNR2 (0.45) PDE10ACNR2
SCHEMBL14412127 0.91 PDE10A (0.44) PDE10ACNR2APEX1
SCHEMBL5440772 0.90 PDE10A (0.48) PDE10ACNR2ROCK2ROCK1
SCHEMBL5469681 0.90 CNR2 (0.44) PDE10ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR PDE10A 514/4885CNR2 106/4885APEX1 3945/4885

“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.