SCHEMBL5453731

SCHEMBL5453731

COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4c(C)cccc4C)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.48
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1D P25100 2/20 0.44
CNR1 P21554 3/20 0.43
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
NR2F2 P24468 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL5451102 0.86 CNR2 (0.54) CNR2KMT2ASMN1; SMN2DRD3
SCHEMBL5444161 0.85 ADRA1D (0.51) CNR2ADRA1DCNR1HTR2AHTR7
SCHEMBL14410921 0.84 L3MBTL1 (0.54) KMT2ASMN1; SMN2DRD3
SCHEMBL5453531 0.83 DRD3 (0.54) HTR2ADRD3
SCHEMBL5461540 0.83 CNR2 (0.46) CNR2KMT2ASMN1; SMN2HTR2AHTR7
SCHEMBL5452426 0.82 DRD2 (0.46) CNR2KMT2ASMN1; SMN2ADRA1DCNR1
SCHEMBL5444412 0.82 CNR2 (0.51) CNR2KMT2ASMN1; SMN2CNR1
SCHEMBL14410883 0.80 CNR2 (0.56) CNR2KMT2ASMN1; SMN2CNR1DRD3
SCHEMBL14410944 0.80 CNR2 (0.48) CNR2KMT2ASMN1; SMN2ADRA1DCNR1
SCHEMBL14411105 0.80 CNR2 (0.50) CNR2KMT2ASMN1; SMN2ADRA1DCNR1

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 CNR2 106/4885KMT2A 4056/4885SMN1; SMN2 1701/4885

“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.