SCHEMBL5455263

SCHEMBL5455263

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
MET P08581 2/20 0.46
PTPN7 P35236 1/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PDE10A Q9Y233 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL5470088 0.98 CNR2 (0.48) CNR2METPTPN7ROCK2ROCK1
SCHEMBL5451967 0.98 CNR2 (0.50) CNR2METPTPN7ROCK2ROCK1
SCHEMBL5448753 0.95 CNR2 (0.49) CNR2METPTPN7PDE10AL3MBTL1
SCHEMBL14411430 0.93 CNR2 (0.44) CNR2METPTPN7ROCK2ROCK1
SCHEMBL5451156 0.92 PDE10A (0.51) CNR2METPTPN7ROCK2ROCK1
SCHEMBL5444227 0.92 PTPN7 (0.44) CNR2METPTPN7KDM4EALDH1A1
SCHEMBL5454797 0.92 CNR2 (0.50) CNR2ROCK2ROCK1PDE10AKDM4E
SCHEMBL14412052 0.90 PDE10A (0.50) CNR2METPTPN7ROCK2ROCK1
SCHEMBL14412026 0.90 PDE10A (0.53) CNR2METPTPN7PDE10ADRD2
SCHEMBL14412060 0.90 PTPN7 (0.46) CNR2METPTPN7ROCK2ROCK1

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 106/4885MET 205/4885PTPN7 592/4885

“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.