SCHEMBL2871199

SCHEMBL2871199

COC(CN)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
AKT2 P31751 1/20 0.42
TAAR1 Q96RJ0 5/20 0.42
PTGS2 P35354 1/20 0.40
HTR2A P28223 1/20 0.40
EPHX1 P07099 1/20 0.39
AOC3 Q16853 3/20 0.39

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
SCHEMBL5967321 0.88 TAAR1 (0.52) CHRNB2CHRNA4TAAR1HTR2A
SCHEMBL913620 0.88 TAAR1 (0.52) CHRNB2CHRNA4TAAR1HTR2A
SCHEMBL9734378 0.88 TAAR1 (0.52) CHRNB2CHRNA4TAAR1HTR2A
Hydrochloric Acid SCHEMBL20746350 0.86 TAAR1 (0.50) CHRNB2CHRNA4TAAR1HTR2A
SCHEMBL10422453 0.81 PTGS2 (0.44) CHRNB2CHRNA4PTGS2EPHX1
SCHEMBL9180990 0.81 CHRNB2 (0.42) CHRNB2CHRNA4PTGS2EPHX1AOC3
SCHEMBL2869497 0.81 CHRNB2 (0.42) CHRNB2CHRNA4PTGS2EPHX1AOC3
SCHEMBL13569343 0.78 AOC3 (0.42) TAAR1AOC3
SCHEMBL13569341 0.78 AOC3 (0.42) TAAR1AOC3
SCHEMBL18257696 0.78 AOC3 (0.42) TAAR1AOC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662845-B2 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase MMP12 ASTRAZENECA AB (SE) 2010-02-16 US disclosed
CN-100398521-C 2,5-dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase MMP12 ASTRAZENECA AB (SE) 2008-07-02 CN disclosed
US-7354940-B2 2,5-dioxoimidazolidin-4-yl acetamines and analogues as inhibitors of metalloproteinase mmp12 ASTRAZENECA AB (SE) 2008-04-08 US disclosed
EP-1542977-B1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. ASTRAZENECA AB (SE) 2006-12-20 EP disclosed
US-20060276524-A1 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase MMP12 ASTRAZENECA AB, A SWEDEN CORPORATION 2006-12-07 US disclosed
US-20050245586-A1 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase mmp12 ASTRAZENECA AB (SE) 2005-11-03 US disclosed
CN-1688550-A 2, 5-dioxoimidazolidin-4-yl acetamides and analogs as metalloproteinase MMP12 inhibitors ASTRAZENECA AB (SE) 2005-10-26 CN disclosed
EP-1542977-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. AstraZeneca AB (SE) 2005-06-22 EP disclosed
WO-2004020415-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. ASTRAZENECA AB (SE) 2004-03-11 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 (2 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-20060276524-A1 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase MMP12 MMP12, MMP13, MMP9 CHRNB2 3961/4885CHRNA4 3991/4885AKT2 1386/4885
US-20050245586-A1 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase mmp12 MMP12, PDE12, MMP13 CHRNB2 2111/4885CHRNA4 2149/4885AKT2 1668/4885

“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.