SCHEMBL5451547

SCHEMBL5451547

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
CNR2 P34972 4/20 0.44
CCR3 P51677 2/20 0.43
HTR2A P28223 1/20 0.43
CNR1 P21554 3/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CFD P00746 1/20 0.41
MAPK1 P28482 1/20 0.41
IGF1R P08069 1/20 0.40
ALK Q9UM73 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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
SCHEMBL5378744 0.94 CNR2 (0.44) PDE10ACNR2CCR3HTR2ACNR1
SCHEMBL5454964 0.87 PDE10A (0.49) PDE10ACNR2DRD2DRD4DRD3
SCHEMBL5446388 0.86 CNR2 (0.51) CNR2CCR3HTR2ACNR1CHRNB2
SCHEMBL5452640 0.85 ALDH1A1 (0.48) CNR2CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5446527 0.84 CNR1 (0.47) CNR2CNR1CHRNB2CHRNB4CHRNA3
SCHEMBL5451184 0.84 PDE10A (0.48) PDE10ACNR2CCR3CNR1
SCHEMBL5448407 0.83 PDE10A (0.50) PDE10ACNR2CNR1
SCHEMBL5451298 0.83 PDE10A (0.51) PDE10ACNR2CCR3HTR2A
SCHEMBL5449136 0.82 PDE10A (0.52) PDE10ACNR2MAPK1DRD2DRD4
SCHEMBL5454644 0.82 PDE10A (0.51) PDE10ACNR2CNR1DRD2DRD4

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 106/4885CCR3 1400/4885

“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.