SCHEMBL2128347

SCHEMBL2128347

CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1nc2c(F)cncn2c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.40
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KDM1A O60341 1/20 0.35
CHEK2 O96017 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
ATM Q13315 2/20 0.35
PARP1 P09874 1/20 0.35
METTL3 Q86U44 1/20 0.34
PRMT5 O14744 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
APP P05067 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL2122738 0.90 PDE8B (0.41) PDE8BALOX5APFEN1KDM1ACHEK2
SCHEMBL2124842 0.85 PDE8B (0.40) PDE8BALOX5APFEN1KDM1ACHEK2
SCHEMBL2123789 0.79 PDE8B (0.41) PDE8BALOX5APFEN1KDM1ACHEK2
SCHEMBL2517432 0.79 PDE8B (0.41) PDE8BKDM1ACHEK2PARP1METTL3
SCHEMBL2120886 0.77 PDE8B (0.41) PDE8BALOX5APFEN1KDM1ACHEK2
SCHEMBL2123536 0.77 METTL3 (0.48) PDE8BKDM1ACHEK2ATMPARP1
SCHEMBL12225863 0.72 PDE8B (0.43) PDE8BKDM1ACHEK2ATMPARP1
SCHEMBL86137 0.71 PDE8B (0.42) PDE8BALOX5APFEN1KDM1ACHEK2
SCHEMBL2512520 0.71 PDE8B (0.42) PDE8BKDM1ACHEK2PARP1METTL3
SCHEMBL2124396 0.70 PDE8B (0.41) PDE8BKDM1ACHEK2PARP1METTL3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 PDE8B 3453/4885ALOX5AP 1095/4885FEN1 4857/4885

“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.