SCHEMBL839624

SCHEMBL839624

O=C1CCCN(Cc2cccc(Br)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
ACHE P22303 1/20 0.41
CXCR4 P61073 2/20 0.40
PARP1 P09874 1/20 0.40
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ALOX5 P09917 1/20 0.33
CLPP Q16740 2/20 0.32
ACKR3 P25106 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL839038 0.80 FAAH (0.53) FAAHACHECXCR4DRD2DRD3
SCHEMBL28021131 0.79 FAAH (0.49) FAAHACHECXCR4PARP1GRIN2D
SCHEMBL13116948 0.77 L3MBTL1 (0.45) FAAHPARP1MAPK1KMT2AL3MBTL1
SCHEMBL13940602 0.74 FAAH (0.51) FAAHACHECXCR4PARP1DRD2
SCHEMBL28184599 0.72 CXCR4 (0.58) FAAHACHECXCR4PARP1DRD2
SCHEMBL840048 0.72 KMT2A (0.59) FAAHACHECXCR4PARP1DRD2
SCHEMBL465778 0.71 CXCR4 (0.77) FAAHCXCR4ALDH1A1KDM4EHPGD
SCHEMBL29462386 0.71 FAAH (0.54) FAAHACHECXCR4DRD2DRD3
SCHEMBL5253618 0.71 FAAH (0.54) FAAHACHECXCR4DRD2DRD3
SCHEMBL5255062 0.71 FAAH (0.54) FAAHACHECXCR4DRD2DRD3

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 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 FAAH 801/4885ACHE 1377/4885CXCR4 473/4885

“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.