SCHEMBL5453859

SCHEMBL5453859

Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c3c(OC(C)C)cccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
PDE10A Q9Y233 5/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR3C1 P04150 1/20 0.37
RORC P51449 1/20 0.36
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL5451310 0.93 CNR2 (0.49) CNR2PDE10A
SCHEMBL5450158 0.89 CNR2 (0.41) CNR2PDE10AALDH1A1RORC
SCHEMBL5448680 0.89 CNR2 (0.46) CNR2PDE10AKDM4EALDH1A1HPGD
SCHEMBL5451975 0.89 PTPN7 (0.46) CNR2PDE10AKDM4EALDH1A1HPGD
SCHEMBL5446864 0.87 CNR2 (0.45) CNR2PDE10AKDM4EALDH1A1HPGD
SCHEMBL5444227 0.87 PTPN7 (0.44) CNR2KDM4EALDH1A1
SCHEMBL5441547 0.86 PTPN7 (0.47) CNR2PDE10AKDM4EALDH1A1HPGD
SCHEMBL5447102 0.85 PDE10A (0.52) CNR2PDE10A
SCHEMBL14412040 0.85 CNR2 (0.42) CNR2PDE10AKDM4EALDH1A1MAPT
SCHEMBL5451197 0.84 PTPN7 (0.40) CNR2PDE10AALDH1A1NR3C1

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 106/4885PDE10A 514/4885KDM4E 3327/4885

“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.