SCHEMBL5453531

SCHEMBL5453531

COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4cccc(Cl)c4Cl)CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.54
FAAH O00519 3/20 0.54
DRD2 P14416 14/20 0.53
HTR2A P28223 9/20 0.53
HTR1A P08908 5/20 0.53
DRD4 P21917 6/20 0.51
SIGMAR1 Q99720 2/20 0.50
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL5444161 0.94 ADRA1D (0.51) DRD3FAAHDRD2HTR2AHTR1A
SCHEMBL14410944 0.84 CNR2 (0.48)
SCHEMBL14410921 0.84 L3MBTL1 (0.54) DRD3DRD2HTR1ASIGMAR1
SCHEMBL5451102 0.83 CNR2 (0.54) DRD3DRD2DRD4
SCHEMBL5453731 0.83 CNR2 (0.48) DRD3HTR2A
SCHEMBL5444412 0.82 CNR2 (0.51) DRD2DRD4
SCHEMBL14410865 0.82 CNR2 (0.46)
SCHEMBL14410851 0.81 CNR2 (0.46)
SCHEMBL14464412 0.80 CNR2 (0.46) HTR1ASLC6A4
SCHEMBL5461540 0.80 CNR2 (0.46) DRD3DRD2HTR2AHTR1ADRD4

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 DRD3 2993/4885FAAH 406/4885DRD2 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.