SCHEMBL5453707

SCHEMBL5453707

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.46
CNR2 P34972 4/20 0.45
CXCR4 P61073 2/20 0.44
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL5454964 0.93 PDE10A (0.49) PDE10ACNR2CXCR4CHRM3KDM4E
SCHEMBL5449219 0.91 PDE10A (0.46) PDE10ACNR2CXCR4CHRM3KDM4E
SCHEMBL5454500 0.90 CNR2 (0.48) PDE10ACNR2CHRM3KDM4EDRD2
SCHEMBL5444237 0.89 GAA (0.43) PDE10ACNR2CXCR4CHRM3LMNA
SCHEMBL5454797 0.88 CNR2 (0.50) PDE10ACNR2CHRM3KDM4EDRD2
SCHEMBL5378744 0.87 CNR2 (0.44) PDE10ACNR2CXCR4DRD2DRD4
SCHEMBL5449199 0.87 CNR2 (0.47) PDE10ACNR2MAPTDRD2DRD4
SCHEMBL5455263 0.86 CNR2 (0.48) PDE10ACNR2KDM4EDRD2DRD4
SCHEMBL5444434 0.85 CNR2 (0.52) PDE10ACNR2CHRM3KDM4EDRD2
SCHEMBL5470088 0.85 CNR2 (0.48) 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 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 106/4885CXCR4 849/4885

“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.