SCHEMBL5453518

SCHEMBL5453518

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.45
PDE10A Q9Y233 6/20 0.43
SCD O00767 1/20 0.41
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
CFD P00746 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
SCHEMBL5440647 0.94 PDE10A (0.51) CNR2PDE10ASCD
SCHEMBL5456159 0.91 CNR2 (0.45) CNR2PDE10AOPRK1KCNH2
SCHEMBL5449193 0.89 CNR2 (0.46) CNR2PDE10AOPRK1KCNH2
SCHEMBL5463014 0.88 SCD (0.47) CNR2PDE10ASCD
SCHEMBL14411865 0.87 CNR2 (0.50) CNR2PDE10A
SCHEMBL14411883 0.87 CNR2 (0.50) CNR2PDE10A
SCHEMBL5454604 0.87 CNR2 (0.47) CNR2SCDCFD
SCHEMBL14411879 0.85 CNR2 (0.46) CNR2PDE10A
SCHEMBL5455000 0.85 CNR2 (0.46) CNR2PDE10A
SCHEMBL14464000 0.85 CNR2 (0.46) CNR2PDE10A

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 514/4885SCD 1005/4885

“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.