SCHEMBL5448672

SCHEMBL5448672

COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.53
CNR2 P34972 7/20 0.49
KMT2A Q03164 1/20 0.47
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 2/20 0.43
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL5454500 0.94 CNR2 (0.48) PDE10ACNR2CHRM3KDM4EDRD3
SCHEMBL5454578 0.94 PDE10A (0.51) PDE10ACNR2KMT2ACHRM3KDM4E
SCHEMBL5448906 0.92 CNR2 (0.48) PDE10ACNR2CHRM3DRD3
SCHEMBL5448901 0.91 PDE10A (0.53) PDE10ACNR2DRD3DRD2DRD4
SCHEMBL5451427 0.90 PDE10A (0.48) PDE10ACNR2CHRM3
SCHEMBL5455268 0.90 PDE10A (0.51) PDE10ACNR2
SCHEMBL5451253 0.88 CNR2 (0.47) PDE10ACNR2KDM4EDRD3DRD2
SCHEMBL5451156 0.88 PDE10A (0.51) PDE10ACNR2KMT2AKDM4EDRD2
SCHEMBL5459842 0.88 CNR2 (0.50) PDE10ACNR2KDM4EDRD3DRD2
SCHEMBL14412025 0.88 PDE10A (0.55) PDE10ACNR2CHRM3KDM4EDRD3

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 106/4885KMT2A 4056/4885

“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.