SCHEMBL5449199

SCHEMBL5449199

COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.47
PDE10A Q9Y233 1/20 0.42
PKM P14618 1/20 0.41
DRD3 P35462 3/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.39

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
SCHEMBL5454255 0.89 CNR2 (0.45) CNR2DRD3MAPTCNR1
SCHEMBL5459842 0.88 CNR2 (0.50) CNR2PDE10ADRD3DRD2DRD4
SCHEMBL5454964 0.87 PDE10A (0.49) CNR2PDE10ADRD3DRD2DRD4
SCHEMBL14410865 0.87 CNR2 (0.46) CNR2PKMCNR1
SCHEMBL5453707 0.87 PDE10A (0.46) CNR2PDE10ADRD3DRD2DRD4
SCHEMBL5447819 0.86 CNR2 (0.55) CNR2DRD3DRD2DRD4
SCHEMBL5446793 0.85 CNR2 (0.48) CNR2PKMMAPTCNR1
SCHEMBL5446352 0.85 ALDH1A1 (0.49) CNR2MAPTCNR1
SCHEMBL5463321 0.84 SCD (0.48) CNR2CNR1
SCHEMBL5455008 0.83 CNR2 (0.54) CNR2PKM

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 514/4885PKM 4015/4885

“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.