SCHEMBL5451156

SCHEMBL5451156

COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
MET P08581 4/20 0.49
CNR2 P34972 6/20 0.48
PTPN7 P35236 1/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HTR5A P47898 1/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
SCHEMBL14412052 0.98 PDE10A (0.50) PDE10AMETCNR2PTPN7ROCK2
SCHEMBL14412026 0.98 PDE10A (0.53) PDE10AMETCNR2PTPN7HTR5A
SCHEMBL5451165 0.95 PDE10A (0.52) PDE10AMETCNR2PTPN7DRD2
SCHEMBL5455268 0.94 PDE10A (0.51) PDE10AMETCNR2PTPN7ROCK2
SCHEMBL5455263 0.92 CNR2 (0.48) PDE10AMETCNR2PTPN7ROCK2
SCHEMBL5448901 0.92 PDE10A (0.53) PDE10AMETCNR2DRD2
SCHEMBL5470088 0.90 CNR2 (0.48) PDE10AMETCNR2PTPN7ROCK2
SCHEMBL5451967 0.90 CNR2 (0.50) PDE10AMETCNR2PTPN7ROCK2
SCHEMBL5448697 0.90 PDE10A (0.48) PDE10AMETCNR2PTPN7DRD2
SCHEMBL14411440 0.90 CNR2 (0.47) PDE10AMETCNR2PTPN7ROCK2

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 514/4885MET 205/4885CNR2 106/4885

“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.