SCHEMBL5452667

SCHEMBL5452667

Cc1cccc(CNC(=O)c2cn(CCCCl)c3c(OC(C)C)cccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.44
NR3C1 P04150 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP13 P45452 1/20 0.41
CNR2 P34972 3/20 0.40
ADORA2A P29274 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PPARG P37231 1/20 0.39
EZH2 Q15910 1/20 0.39
PTPN7 P35236 1/20 0.39
THRB P10828 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL5337000 0.90 PDE10A (0.50) PDE10ANR3C1KDM4EALDH1A1HPGD
SCHEMBL5452661 0.88 CNR1 (0.46) PDE10AALDH1A1HPGDCNR2
SCHEMBL5448680 0.85 CNR2 (0.46) PDE10AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5451975 0.85 PTPN7 (0.46) PDE10AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5441547 0.84 PTPN7 (0.47) PDE10AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5451197 0.84 PTPN7 (0.40) PDE10ANR3C1ALDH1A1CNR2PTPN7
SCHEMBL5453859 0.84 CNR2 (0.42) PDE10ANR3C1KDM4EALDH1A1HPGD
SCHEMBL5446864 0.83 CNR2 (0.45) PDE10AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5444227 0.83 PTPN7 (0.44) KDM4EALDH1A1CNR2PTPN7
SCHEMBL14412040 0.83 CNR2 (0.42) PDE10AKDM4EALDH1A1CNR2

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 PDE10A 514/4885NR3C1 105/4885KDM4E 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.