SCHEMBL1929355

SCHEMBL1929355

CN1CCC[C@H]1COc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.54
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHEK1 O14757 7/20 0.48
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
CHRM3 P20309 5/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL1928926 1.00 IKBKB (0.54) IKBKBCHRNB4CHRNA3CHEK1JAK2
SCHEMBL1928927 1.00 IKBKB (0.54) IKBKBCHRNB4CHRNA3CHEK1JAK2
SCHEMBL1927848 0.97 IKBKB (0.54) IKBKBCHRNB4CHRNA3CHEK1JAK2
SCHEMBL1926957 0.83 CHEK1 (0.61) IKBKBCHEK1JAK2JAK3
SCHEMBL1927797 0.80 IKBKB (0.54) IKBKBCHEK1JAK2JAK3IRAK4
SCHEMBL1928293 0.79 IKBKB (0.57) IKBKBCHEK1JAK2JAK3
SCHEMBL1927981 0.78 IKBKB (0.54) IKBKBCHEK1JAK2JAK3
SCHEMBL32691652 0.78 CHRNB4 (0.67) CHRNB4CHRNA3IRAK4
SCHEMBL1929412 0.77 CHEK1 (0.51) IKBKBCHEK1JAK2JAK3
SCHEMBL10051819 0.77 IKBKB (0.70) IKBKBCHEK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US claimed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO claimed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885CHRNB4 2214/4885CHRNA3 1243/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 IKBKB 2989/4885CHRNB4 2471/4885CHRNA3 1614/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885CHRNB4 2214/4885CHRNA3 1243/4885

“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.