SCHEMBL5463245

SCHEMBL5463245

COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
DRD3 P35462 5/20 0.48
GCGR P47871 2/20 0.48
DRD2 P14416 3/20 0.47
DRD1 P21728 1/20 0.47
KCNA5 P22460 2/20 0.47
LTA4H P09960 1/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.45
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL5445308 0.94 KCNA5 (0.51) CNR2DRD3GCGRDRD2DRD1
SCHEMBL14463831 0.94 CNR2 (0.49) CNR2DRD3GCGRDRD2DRD1
SCHEMBL5443156 0.87 CNR2 (0.59) CNR2DRD3DRD2KCNA5TSHR
SCHEMBL5453365 0.87 MAPT (0.57) CNR2DRD3TSHRL3MBTL1CNR1
SCHEMBL5444421 0.84 CNR2 (0.52) CNR2CNR1
SCHEMBL5448714 0.84 CNR2 (0.52) CNR2DRD3DRD2TSHRL3MBTL1
SCHEMBL5449584 0.84 CNR2 (0.53) CNR2DRD3GCGRDRD2TSHR
SCHEMBL14410915 0.84 CNR2 (0.47) CNR2DRD2L3MBTL1CNR1
SCHEMBL5463133 0.83 CNR2 (0.52) CNR2CNR1
SCHEMBL5450940 0.83 CNR2 (0.52) CNR2DRD2CNR1

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 106/4885DRD3 2993/4885GCGR 14/4885

“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.