SCHEMBL5445308

SCHEMBL5445308

COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.51
CNR2 P34972 4/20 0.49
DRD3 P35462 4/20 0.47
DRD2 P14416 3/20 0.47
GCGR P47871 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
LTA4H P09960 1/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DRD1 P21728 1/20 0.44
CNR1 P21554 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
SCHEMBL5463245 0.94 CNR2 (0.52) KCNA5CNR2DRD3DRD2GCGR
SCHEMBL14463831 0.92 CNR2 (0.49) KCNA5CNR2DRD3DRD2GCGR
SCHEMBL5441837 0.88 CNR2 (0.55) KCNA5CNR2DRD3DRD2MEN1
SCHEMBL5454526 0.87 CNR2 (0.47) CNR2MEN1KMT2ACNR1
SCHEMBL5461530 0.86 TP53 (0.53) KCNA5CNR2DRD3DRD2MEN1
SCHEMBL5441690 0.84 CNR2 (0.46) KCNA5CNR2DRD3DRD2MEN1
SCHEMBL14410915 0.83 CNR2 (0.47) CNR2DRD2L3MBTL1CNR1
SCHEMBL5455214 0.83 PDE10A (0.46) KCNA5CNR2DRD3DRD2MEN1
SCHEMBL5455433 0.82 PDE10A (0.51) KCNA5CNR2DRD3DRD2MEN1
SCHEMBL5448060 0.82 CNR2 (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 KCNA5 4447/4885CNR2 106/4885DRD3 2993/4885

“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.