SCHEMBL5447102

SCHEMBL5447102

COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.52
CNR2 P34972 11/20 0.49
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
TP53 P04637 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
SCHEMBL5451310 0.92 CNR2 (0.49) PDE10ACNR2DRD2DRD4DRD3
SCHEMBL5450020 0.89 CNR2 (0.48) PDE10ACNR2
SCHEMBL14412025 0.87 PDE10A (0.55) PDE10ACNR2DRD2DRD4DRD3
SCHEMBL14412026 0.87 PDE10A (0.53) PDE10ACNR2DRD2DRD4DRD3
SCHEMBL5453727 0.86 CNR2 (0.48) PDE10ACNR2DRD3
SCHEMBL5453859 0.85 CNR2 (0.42) PDE10ACNR2
SCHEMBL5448901 0.85 PDE10A (0.53) PDE10ACNR2DRD2DRD4DRD3
SCHEMBL5448672 0.85 PDE10A (0.53) PDE10ACNR2DRD2DRD4DRD3
SCHEMBL5451156 0.85 PDE10A (0.51) PDE10ACNR2DRD2
SCHEMBL5451165 0.84 PDE10A (0.52) PDE10ACNR2DRD2DRD4DRD3

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 3 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

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 106/4885DRD2 2688/4885

“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.