SCHEMBL5449136

SCHEMBL5449136

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.52
CNR2 P34972 5/20 0.49
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
APEX1 P27695 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
DRD3 P35462 4/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 2/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5454762 0.92 CNR2 (0.50) PDE10ACNR2APEX1POLBGAA
SCHEMBL5448901 0.91 PDE10A (0.53) PDE10ACNR2POLBGAADRD3
SCHEMBL5454797 0.91 CNR2 (0.50) PDE10ACNR2ALDH1A1POLBGAA
SCHEMBL5454578 0.90 PDE10A (0.51) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5454163 0.90 CNR2 (0.52) PDE10ACNR2MAPK1APEX1POLB
SCHEMBL5454964 0.89 PDE10A (0.49) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL14412025 0.89 PDE10A (0.55) PDE10ACNR2ALDH1A1POLBGAA
SCHEMBL5444434 0.89 CNR2 (0.52) PDE10ACNR2ALDH1A1POLBGAA
SCHEMBL5463330 0.88 PDE10A (0.51) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5453856 0.88 CNR2 (0.49) PDE10ACNR2ALDH1A1POLBGAA

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 106/4885MAPK1 1443/4885

“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.