SCHEMBL840052

SCHEMBL840052

O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ENPP2 Q13822 2/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
PARP1 P09874 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
ACHE P22303 1/20 0.34
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL840935 0.89 HRH3 (0.38) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL839469 0.87 HRH3 (0.43) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL840172 0.85 HRH3 (0.41) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL839962 0.85 HRH3 (0.41) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL840115 0.85 HRH3 (0.41) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL840715 0.84 HRH3 (0.40) HRH3CYP2D6CYP2C19ENPP2PARP1
SCHEMBL840087 0.84 NOS1 (0.41) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL840546 0.83 HRH3 (0.39) HRH3CYP2D6CYP2C19ENPP2HCRTR1
SCHEMBL840569 0.82 HRH3 (0.39) HRH3CYP2D6CYP2C19ENPP2PARP1
SCHEMBL840383 0.81 HDAC6 (0.39) HRH3ENPP2HCRTR1HCRTR2HDAC6

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 HRH3 18/4885CYP2D6 1739/4885CYP2C19 2042/4885

“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.