SCHEMBL5457566

SCHEMBL5457566

COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR2A P28223 5/20 0.51
GRM2 Q14416 3/20 0.51
CNR2 P34972 5/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
CNR1 P21554 3/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL5444421 0.88 CNR2 (0.52) ALDH1A1CNR2POLBGAACNR1
SCHEMBL14410882 0.87 CNR2 (0.53) ALDH1A1MAPTNPSR1HTR2AGRM2
SCHEMBL5447876 0.85 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1HTR2AGRM2
SCHEMBL5446352 0.85 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5453365 0.85 MAPT (0.57) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5447819 0.83 CNR2 (0.55) ALDH1A1CNR2POLBGAADRD2
SCHEMBL5456337 0.83 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1HTR2AGRM2
SCHEMBL5453856 0.83 CNR2 (0.49) ALDH1A1CNR2POLBGAADRD2
SCHEMBL5454797 0.82 CNR2 (0.50) ALDH1A1CNR2POLBGAADRD2
SCHEMBL5448901 0.82 PDE10A (0.53) CNR2POLBGAADRD2DRD4

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 ALDH1A1 2963/4885MAPT 4523/4885NPSR1 33/4885

“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.