SCHEMBL5453673

SCHEMBL5453673

CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 3/20 0.42
MAPK14 Q16539 5/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
APEX1 P27695 1/20 0.39
PDE10A Q9Y233 3/20 0.38
FSCN1 Q16658 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL5451255 0.93 KMT2A (0.44) CNR1CNR2MAPK14PDE10AHTR1A
SCHEMBL5452419 0.91 CNR2 (0.46) CNR1CNR2HTR1DHTR1BAPEX1
SCHEMBL5453053 0.91 PTPN7 (0.47) CNR1CNR2APEX1FSCN1HTR1A
SCHEMBL5454430 0.89 CNR2 (0.41) CNR1CNR2MAPK14HTR1DHTR1B
SCHEMBL14411422 0.89 CNR1 (0.45) CNR1CNR2APEX1FSCN1
SCHEMBL5453064 0.89 DRD3 (0.43) CNR1CNR2APEX1HTR1ADRD2
SCHEMBL5446546 0.89 CNR1 (0.47) CNR1CNR2APEX1FSCN1HTR1A
SCHEMBL5453825 0.87 CNR1 (0.45) CNR1CNR2APEX1FSCN1
SCHEMBL5454687 0.86 CNR1 (0.49) CNR1CNR2APEX1FSCN1KMT2A
SCHEMBL5448583 0.86 KMT2A (0.42) CNR1CNR2HTR1AHTR2AKMT2A

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 CNR1 65/4885CNR2 106/4885MAPK14 1198/4885

“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.