SCHEMBL5454595

SCHEMBL5454595

COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCCOc4ccccc4)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.49
CNR2 P34972 8/20 0.47
PTPN7 P35236 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
HTR7 P34969 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD3 P35462 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MET P08581 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL5450975 0.98 PDE10A (0.47) PDE10ACNR2PTPN7TP53GAA
SCHEMBL5452079 0.98 PDE10A (0.48) PDE10ACNR2PTPN7TP53GAA
SCHEMBL5454395 0.95 PDE10A (0.46) PDE10ACNR2PTPN7TP53GAA
SCHEMBL5446893 0.92 CNR2 (0.46) PDE10ACNR2PTPN7TP53GAA
SCHEMBL5455214 0.92 PDE10A (0.46) PDE10ACNR2PTPN7HTR7MEN1
SCHEMBL14411446 0.91 PDE10A (0.45) PDE10ACNR2PTPN7ALDH1A1DRD3
SCHEMBL5452085 0.89 CNR2 (0.51) PDE10ACNR2GAAHTR7MEN1
SCHEMBL5451967 0.88 CNR2 (0.50) PDE10ACNR2PTPN7TP53THRB
SCHEMBL5453856 0.87 CNR2 (0.49) PDE10ACNR2GAAALDH1A1DRD3
SCHEMBL5453727 0.87 CNR2 (0.48) PDE10ACNR2HTR7MEN1ALDH1A1

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 106/4885PTPN7 592/4885

“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.