SCHEMBL5451427

SCHEMBL5451427

COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCCN(Cc4c(F)cccc4Cl)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.48
ACHE P22303 1/20 0.43
CNR2 P34972 5/20 0.43
SIGMAR1 Q99720 2/20 0.42
CACNA1G O43497 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
CHRM3 P20309 1/20 0.40
CFD P00746 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39

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
SCHEMBL5444237 0.94 GAA (0.43) PDE10AACHECNR2SIGMAR1CACNA1G
SCHEMBL5442816 0.94 CNR2 (0.43) PDE10AACHECNR2SIGMAR1CACNA1G
SCHEMBL5448672 0.90 PDE10A (0.53) PDE10ACNR2CHRM3
SCHEMBL5453582 0.89 PDE10A (0.43) PDE10AACHECNR2SIGMAR1CACNA1G
SCHEMBL14412039 0.87 GAA (0.42) PDE10AACHECNR2SIGMAR1CACNA1G
SCHEMBL14412046 0.86 SIGMAR1 (0.40) PDE10AACHECNR2SIGMAR1CACNA1G
SCHEMBL5454578 0.86 PDE10A (0.51) PDE10ACNR2SIGMAR1CHRM3
SCHEMBL5448906 0.86 CNR2 (0.48) PDE10ACNR2LMNACHRM3
SCHEMBL5448901 0.86 PDE10A (0.53) PDE10ACNR2GAA
SCHEMBL5454500 0.84 CNR2 (0.48) PDE10ACNR2LMNACHRM3

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 514/4885ACHE 3240/4885CNR2 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.