SCHEMBL5453064

SCHEMBL5453064

CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PTPN7 P35236 1/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
SLC2A1 P11166 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
EPHX2 P34913 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KCNA5 P22460 1/20 0.39
APEX1 P27695 1/20 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
SCHEMBL5453053 0.95 PTPN7 (0.47) CNR1CNR2ALDH1A1L3MBTL1KDM4E
SCHEMBL14411422 0.93 CNR1 (0.45) CNR1CNR2ALDH1A1KDM4EPTPN7
SCHEMBL5446546 0.92 CNR1 (0.47) CNR1CNR2ALDH1A1KDM4EPTPN7
SCHEMBL5462838 0.92 CNR1 (0.40) CNR1CNR2ALDH1A1KDM4EPTPN7
SCHEMBL5446675 0.91 PTPN7 (0.51) DRD3CNR2ALDH1A1MEN1KMT2A
SCHEMBL5455426 0.90 CNR2 (0.44) DRD3CNR1CNR2ALDH1A1MEN1
SCHEMBL5453825 0.90 CNR1 (0.45) CNR1CNR2ALDH1A1L3MBTL1KDM4E
SCHEMBL5453673 0.89 CNR1 (0.44) DRD3CNR1CNR2KMT2AHTR1A
SCHEMBL5440849 0.88 CNR2 (0.40) DRD3CNR1CNR2ALDH1A1MEN1
SCHEMBL5448003 0.86 CNR1 (0.43) CNR1CNR2PTPN7APEX1

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 DRD3 2993/4885CNR1 65/4885CNR2 106/4885

“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.