SCHEMBL5448680

SCHEMBL5448680

Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCc4ccccc4)CC3)c3c(OC(C)C)cccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
PDE10A Q9Y233 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMYD2 Q9NRG4 1/20 0.39
THRB P10828 1/20 0.38
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5446864 0.98 CNR2 (0.45) CNR2KDM4EALDH1A1ADRA1DADRA1A
SCHEMBL5451975 0.92 PTPN7 (0.46) CNR2KDM4EALDH1A1PDE10AHPGD
SCHEMBL5444434 0.91 CNR2 (0.52) CNR2KDM4EALDH1A1PDE10APOLB
SCHEMBL5441547 0.91 PTPN7 (0.47) CNR2KDM4EALDH1A1PDE10AHPGD
SCHEMBL5459780 0.90 CNR2 (0.46) CNR2ADRA1DADRA1AADRA1BPDE10A
SCHEMBL5444227 0.90 PTPN7 (0.44) CNR2KDM4EALDH1A1
SCHEMBL5453859 0.89 CNR2 (0.42) CNR2KDM4EALDH1A1PDE10AHPGD
SCHEMBL5454797 0.89 CNR2 (0.50) CNR2KDM4EALDH1A1PDE10ASMYD2
SCHEMBL14412060 0.89 PTPN7 (0.46) CNR2KDM4E
SCHEMBL5463426 0.88 CNR2 (0.45) CNR2ADRA1DADRA1AADRA1BPDE10A

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 106/4885KDM4E 3327/4885ALDH1A1 2963/4885

“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.