SCHEMBL5453656

SCHEMBL5453656

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.42
PDE10A Q9Y233 2/20 0.41
CNR1 P21554 5/20 0.39
CCR2 P41597 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL5451184 0.94 PDE10A (0.48) CNR2PDE10ACNR1
SCHEMBL5445455 0.92 CNR2 (0.44) CNR2PDE10ACNR1
SCHEMBL5446481 0.87 CNR2 (0.44) CNR2CNR1
SCHEMBL5456159 0.86 CNR2 (0.45) CNR2PDE10A
SCHEMBL5441980 0.86 PDE10A (0.47) CNR2PDE10ACNR1ROCK2ROCK1
SCHEMBL5449903 0.86 CNR2 (0.45) CNR2PDE10ACNR1
SCHEMBL5460619 0.86 PDE10A (0.50) CNR2PDE10ACNR1
SCHEMBL5444330 0.84 PDE10A (0.44) CNR2PDE10A
SCHEMBL5453735 0.84 CNR2 (0.51) CNR2CNR1
SCHEMBL5457449 0.84 ALDH1A1 (0.45) CNR2CNR1

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 CNR2 106/4885PDE10A 514/4885CNR1 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.