SCHEMBL1929302

SCHEMBL1929302

CN1CCCCC1COc1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.66
CHRNA3 P32297 3/20 0.66
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
CHRNB1 P11230 1/20 0.58
CHRNB3 Q05901 1/20 0.58

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
SCHEMBL1928412 0.96 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL1928695 0.96 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL29772002 0.87 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL11448897 0.86 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL14578209 0.85 CHRNB4 (0.74) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL10881783 0.84 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL11448129 0.83 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL10874140 0.80 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL6673010 0.80 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL14559958 0.79 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB4 2214/4885CHRNA3 1243/4885CHRNB2 2067/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 CHRNB4 2471/4885CHRNA3 1614/4885CHRNB2 2195/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 CHRNB4 2214/4885CHRNA3 1243/4885CHRNB2 2067/4885

“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.