SCHEMBL5454570

SCHEMBL5454570

COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3[C@@H]4CC[C@H]3C[C@@H](CC(=O)c3ccc(Cl)cc3)C4)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.44
CNR2 P34972 8/20 0.44
CFD P00746 1/20 0.40
EPHX2 P34913 1/20 0.38
KLKB1 P03952 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL14411452 1.00 PDE10A (0.44) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL5454568 1.00 PDE10A (0.44) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL14412141 0.94 PDE10A (0.45) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL14412142 0.93 PDE10A (0.45) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL14411453 0.93 PDE10A (0.44) PDE10ACNR2CFDEPHX2MAPT
SCHEMBL14411448 0.92 PDE10A (0.43) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL5447879 0.92 PDE10A (0.43) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL5447878 0.92 PDE10A (0.43) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL14412101 0.89 PDE10A (0.44) PDE10ACNR2CFDEPHX2KLKB1
SCHEMBL14411417 0.89 CNR2 (0.44) PDE10ACNR2TP53

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 1 patent. 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

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 106/4885CFD 3529/4885

“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.