SCHEMBL5454964

SCHEMBL5454964

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.49
CNR2 P34972 4/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM3 P20309 1/20 0.42
CXCR4 P61073 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 2/20 0.41
ADRA1A P35348 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 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
SCHEMBL5453707 0.93 PDE10A (0.46) PDE10ACNR2CHRM3CXCR4DRD2
SCHEMBL5454578 0.90 PDE10A (0.51) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5449136 0.89 PDE10A (0.52) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5449199 0.87 CNR2 (0.47) PDE10ACNR2DRD2DRD3DRD4
SCHEMBL5451547 0.87 PDE10A (0.47) PDE10ACNR2DRD2DRD3DRD4
SCHEMBL5449219 0.87 PDE10A (0.46) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL14410865 0.85 CNR2 (0.46) CNR2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL5455008 0.85 CNR2 (0.54) CNR2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL5448407 0.84 PDE10A (0.50) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5448906 0.84 CNR2 (0.48) PDE10ACNR2CHRM3DRD3APEX1

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 106/4885MEN1 2039/4885

“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.