SCHEMBL1928461

SCHEMBL1928461

CS(=O)(=O)OC1CCN(CC2CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.35
KDM2B Q8NHM5 10/20 0.34
ACHE P22303 1/20 0.34
OPRK1 P41145 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
SCHEMBL13085773 0.82 HRH3 (0.39) HRH3
SCHEMBL28854797 0.78 HRH3 (0.36) HRH3
SCHEMBL25367137 0.77 HRH3 (0.36) HRH3
SCHEMBL25367141 0.77 HRH3 (0.36) HRH3
SCHEMBL1928299 0.76 CHRM4 (0.38) HRH3
SCHEMBL1108992 0.76 CHRM4 (0.38) HRH3
SCHEMBL2551547 0.75 SIGMAR1 (0.35) KDM2B
SCHEMBL21296396 0.74 LMNA (0.35) HRH3LMNAACHE
SCHEMBL19662033 0.74 HRH3 (0.43) HRH3
SCHEMBL23160514 0.72 CYP3A4 (0.44) HRH3

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 HRH3 159/4885LMNA 3591/4885KDM2B 958/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 HRH3 1028/4885LMNA 3431/4885KDM2B 2020/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 HRH3 159/4885LMNA 3591/4885KDM2B 958/4885

“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.