SCHEMBL839466

SCHEMBL839466

O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.49
HRH3 Q9Y5N1 5/20 0.41
PARP1 P09874 4/20 0.38
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CHRM1 P11229 2/20 0.34
HTR2A P28223 2/20 0.34
MCHR1 Q99705 2/20 0.34
PARP2 Q9UGN5 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATR Q13535 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL838691 0.90 ENPP2 (0.43) ENPP2MCHR1CYP2C19JAK2JAK3
SCHEMBL839915 0.88 ENPP2 (0.46) ENPP2HRH3MCHR1CYP2C19JAK2
SCHEMBL839781 0.88 ENPP2 (0.41) ENPP2HRH3ALDH1A1HTTMCHR1
SCHEMBL840715 0.86 HRH3 (0.40) ENPP2HRH3PARP1HRH4ALDH1A1
SCHEMBL840699 0.85 HRH3 (0.41) ENPP2HRH3PARP1HRH4ALDH1A1
SCHEMBL840608 0.83 HRH3 (0.41) ENPP2HRH3PARP1HRH4ALDH1A1
SCHEMBL2474159 0.83 PARP1 (0.37) HRH3PARP1HRH4ALDH1A1HTT
SCHEMBL838838 0.80 PARP1 (0.40) ENPP2HRH3PARP1ALDH1A1PARP2
SCHEMBL839567 0.78 ENPP2 (0.44) ENPP2PARP1ATR
SCHEMBL840609 0.74 JAK2 (0.38) ENPP2PARP1MCHR1JAK2JAK3

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 4 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
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US 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
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 ENPP2 1230/4885HRH3 18/4885PARP1 2970/4885

“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.