SCHEMBL5444161

SCHEMBL5444161

COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccccc4Cl)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.51
DRD3 P35462 5/20 0.49
FAAH O00519 2/20 0.49
DRD2 P14416 5/20 0.49
ADRA1A P35348 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1A P08908 5/20 0.48
CNR2 P34972 1/20 0.48
HTR2A P28223 4/20 0.48
ADRA1B P35368 1/20 0.48
HTR1D P28221 3/20 0.48
HTR1B P28222 3/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 3/20 0.48
HTR2B P41595 3/20 0.48
HTR5A P47898 2/20 0.48
CNR1 P21554 1/20 0.47
ADORA2B P29275 1/20 0.47
HTR4 Q13639 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5453531 0.94 DRD3 (0.54) DRD3FAAHDRD2DRD4HTR1A
SCHEMBL14410944 0.88 CNR2 (0.48) ADRA1DCNR2CNR1
SCHEMBL14410921 0.86 L3MBTL1 (0.54) DRD3DRD2HTR1AADORA2BHTR4
SCHEMBL14410865 0.85 CNR2 (0.46) ADRA1DCNR2CNR1
SCHEMBL5451102 0.85 CNR2 (0.54) DRD3DRD2DRD4CNR2HTR4
SCHEMBL5453731 0.85 CNR2 (0.48) ADRA1DDRD3ADRA1ACNR2HTR2A
SCHEMBL14410851 0.84 CNR2 (0.46) CNR2CNR1
SCHEMBL5444412 0.84 CNR2 (0.51) DRD2DRD4CNR2CNR1
SCHEMBL14464412 0.84 CNR2 (0.46) HTR1ACNR2CNR1HTR4
SCHEMBL14411598 0.83 ADRA1D (0.63) ADRA1DDRD2ADRA1ADRD4HTR1A

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 ADRA1D 941/4885DRD3 2993/4885FAAH 406/4885

“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.