SCHEMBL840327

SCHEMBL840327

CC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.51
HRH3 Q9Y5N1 4/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCHR1 Q99705 1/20 0.37
PARP1 P09874 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 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
SCHEMBL840747 0.89 ENPP2 (0.48) ENPP2CYP2C19HTR1ADRD2JAK2
SCHEMBL840172 0.86 HRH3 (0.41) ENPP2HRH3CYP2D6CYP2C19PARP1
SCHEMBL839469 0.85 HRH3 (0.43) ENPP2HRH3CYP2D6CYP2C19MCHR1
SCHEMBL840115 0.82 HRH3 (0.41) ENPP2HRH3CYP2D6CYP2C19MCHR1
SCHEMBL840087 0.82 NOS1 (0.41) ENPP2HRH3CYP2D6CYP2C19PARP1
SCHEMBL839962 0.80 HRH3 (0.41) ENPP2HRH3CYP2D6CYP2C19MCHR1
SCHEMBL840052 0.80 HRH3 (0.41) ENPP2HRH3CYP2D6CYP2C19PARP1
SCHEMBL840384 0.80 HDAC6 (0.39) ENPP2HRH3HCRTR1HCRTR2
SCHEMBL840383 0.80 HDAC6 (0.39) ENPP2HRH3HCRTR1HCRTR2
SCHEMBL838855 0.80 CYP2D6 (0.44) HRH3CYP2D6CYP2C19PARP1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US claimed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP claimed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US claimed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO claimed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 ENPP2 1230/4885HRH3 18/4885CYP2D6 1739/4885

“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.