SCHEMBL5452426

SCHEMBL5452426

COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C#N)cc4)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
HTR1A P08908 1/20 0.46
USP14 P54578 1/20 0.45
CNR2 P34972 5/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 3/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.41
ADRA1D P25100 1/20 0.41

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 0.90 CNR2 (0.54) DRD2CNR2KMT2ASMN1; SMN2DRD3
SCHEMBL5461540 0.86 CNR2 (0.46) DRD2HTR1ACNR2KMT2ASMN1; SMN2
SCHEMBL14410921 0.84 L3MBTL1 (0.54) DRD2HTR1AKMT2ASMN1; SMN2DRD3
SCHEMBL5453731 0.82 CNR2 (0.48) CNR2KMT2ASMN1; SMN2CNR1HTR7
Hydrochloric Acid SCHEMBL5452799 0.82 ALDH1A1 (0.51) DRD2CNR2KMT2ASMN1; SMN2CNR1
SCHEMBL5444161 0.81 ADRA1D (0.51) DRD2HTR1ACNR2CNR1HTR7
SCHEMBL5453531 0.79 DRD3 (0.54) DRD2HTR1AHTR2ADRD3
SCHEMBL5459929 0.79 CNR2 (0.46) CNR2KMT2ASMN1; SMN2ADRA1D
SCHEMBL5444412 0.78 CNR2 (0.51) DRD2CNR2KMT2ASMN1; SMN2CNR1
SCHEMBL5460817 0.78 CNR2 (0.52) CNR2KMT2ASMN1; SMN2CNR1

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 DRD2 2688/4885HTR1A 417/4885USP14 3380/4885

“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.