SCHEMBL840715

SCHEMBL840715

O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
PARP1 P09874 5/20 0.37
ENPP2 Q13822 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PDE5A O76074 1/20 0.34
PARP2 Q9UGN5 3/20 0.33
CHRM1 P11229 2/20 0.33
HTR2A P28223 2/20 0.33
MCHR1 Q99705 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL840608 0.89 HRH3 (0.41) HRH3PARP1ENPP2HRH4ALDH1A1
SCHEMBL840699 0.88 HRH3 (0.41) HRH3PARP1ENPP2HRH4ALDH1A1
SCHEMBL839466 0.86 ENPP2 (0.49) HRH3PARP1ENPP2HRH4ALDH1A1
SCHEMBL838838 0.85 PARP1 (0.40) HRH3PARP1ENPP2ALDH1A1PARP2
SCHEMBL840052 0.84 HRH3 (0.41) HRH3PARP1ENPP2HRH4HDAC6
SCHEMBL840609 0.79 JAK2 (0.38) PARP1ENPP2MCHR1HDAC1HDAC2
SCHEMBL1998864 0.79 HRH3 (0.43) HRH3ENPP2HRH4MCHR1HDAC6
SCHEMBL840567 0.78 JAK2 (0.37) PARP1MCHR1HDAC1HDAC2HDAC8
SCHEMBL839915 0.76 ENPP2 (0.46) HRH3ENPP2MCHR1CYP2C19
SCHEMBL839137 0.76 JAK2 (0.36) ENPP2HDAC1HDAC2HDAC8HDAC6

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 18/4885PARP1 2970/4885ENPP2 1230/4885

“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.