SCHEMBL839437

SCHEMBL839437

FC1(F)CCCN(Cc2cccc(Br)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
HDAC8 Q9BY41 1/20 0.40
CXCR4 P61073 2/20 0.40
ADORA2A P29274 6/20 0.39
ADORA1 P30542 5/20 0.39
CNR2 P34972 1/20 0.39
HCRTR1 O43613 1/20 0.35
METTL3 Q86U44 1/20 0.35
ACHE P22303 1/20 0.34
GRM2 Q14416 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
DHODH Q02127 1/20 0.33
GRM4 Q14833 2/20 0.33
CYP2D6 P10635 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
SCHEMBL26743949 0.82 FAAH (0.49) FAAHHDAC8CXCR4ADORA2AADORA1
SCHEMBL839038 0.79 FAAH (0.53) FAAHCXCR4ACHEDRD2DRD3
SCHEMBL28021131 0.77 FAAH (0.49) FAAHCXCR4ACHEDRD2DRD3
SCHEMBL839362 0.77 ADORA2A (0.36) HDAC8ADORA2AADORA1CNR2GRM2
SCHEMBL5087471 0.77 ALOX5AP (0.47) FAAHHDAC8ADORA2AADORA1HCRTR1
SCHEMBL13940602 0.72 FAAH (0.51) FAAHCXCR4ACHEDRD2DRD3
SCHEMBL5345901 0.72 ALDH1A1 (0.55) FAAHCXCR4
SCHEMBL838790 0.72 FAAH (0.43) FAAHCXCR4CNR2ACHE
SCHEMBL16416933 0.72 ALDH1A1 (0.47) DHODHCYP2D6
SCHEMBL28184599 0.71 CXCR4 (0.58) FAAHCXCR4ACHEDRD2DRD3

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 801/4885HDAC8 490/4885CXCR4 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.