SCHEMBL5453968

SCHEMBL5453968

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.49
KCNH2 Q12809 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CCR3 P51677 1/20 0.43
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL5451298 0.92 PDE10A (0.51) CNR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5448774 0.88 DRD4 (0.53) CNR2DRD2DRD4PDE10ACNR1
SCHEMBL5444434 0.88 CNR2 (0.52) CNR2LMNATP53KDM4EDRD2
SCHEMBL5463014 0.87 SCD (0.47) CNR2PDE10ACNR1
SCHEMBL5396542 0.87 CNR2 (0.51) CNR2KCNH2CYP2D6WNT3ATNKS2
SCHEMBL5448700 0.86 CNR2 (0.54) CNR2PDE10ACNR1
SCHEMBL5452292 0.86 CNR2 (0.46) CNR2KDM4EHTR2ADRD2DRD4
SCHEMBL5451967 0.86 CNR2 (0.50) CNR2LMNATP53DRD2DRD4
SCHEMBL5454797 0.86 CNR2 (0.50) CNR2LMNATP53KDM4EDRD2
SCHEMBL5448753 0.85 CNR2 (0.49) CNR2LMNATP53DRD2DRD4

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 106/4885KCNH2 4294/4885LMNA 3791/4885

“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.