SCHEMBL5451184

SCHEMBL5451184

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCC(Oc4ccc(Cl)cc4)C3)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
CNR2 P34972 7/20 0.43
CNR1 P21554 3/20 0.40
CCR1 P32246 1/20 0.39
CCR3 P51677 1/20 0.39
APEX1 P27695 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL5453656 0.94 CNR2 (0.42) PDE10ACNR2CNR1
SCHEMBL5460619 0.91 PDE10A (0.50) PDE10ACNR2CNR1CCR3APEX1
SCHEMBL5446481 0.89 CNR2 (0.44) CNR2CNR1
SCHEMBL5460328 0.88 PDE10A (0.49) PDE10ACNR2CNR1CCR1CCR3
SCHEMBL5440891 0.87 PDE10A (0.51) PDE10ACNR2CNR1CCR3APEX1
SCHEMBL5452771 0.86 PDE10A (0.51) PDE10ACNR2CCR1APEX1
SCHEMBL5445455 0.86 CNR2 (0.44) PDE10ACNR2CNR1CCR3
SCHEMBL5453735 0.85 CNR2 (0.51) CNR2CNR1
SCHEMBL5457449 0.85 ALDH1A1 (0.45) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL5451547 0.84 PDE10A (0.47) PDE10ACNR2CNR1CCR3

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 106/4885CNR1 65/4885

“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.