SCHEMBL280596

SCHEMBL280596

BNCCOCCN1CCC2(CC1)CC(=O)c1cc(NS(C)(=O)=O)ccc1O2

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.62
KCNH2 Q12809 1/20 0.60
ADRA1A P35348 7/20 0.57
ADRA1B P35368 6/20 0.57
DGAT1 O75907 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
SCHEMBL267430 0.92 ADRA1D (0.63) ADRA1DKCNH2ADRA1AADRA1BDGAT1
SCHEMBL280556 0.91 ADRA1D (0.62) ADRA1DKCNH2ADRA1AADRA1BDGAT1
SCHEMBL267649 0.89 ADRA1D (0.64) ADRA1DKCNH2ADRA1AADRA1BDGAT1
SCHEMBL261588 0.89 ADRA1D (0.59) ADRA1DKCNH2ADRA1AADRA1B
Hydrochloric Acid SCHEMBL261891 0.89 ADRA1D (0.63) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL12186810 0.88 ADRA1D (0.59) ADRA1DKCNH2ADRA1AADRA1BDGAT1
SCHEMBL261960 0.86 ADRA1D (0.56) ADRA1DKCNH2ADRA1AADRA1BDGAT1
SCHEMBL8569268 0.83 ADRA1D (0.70) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL8565854 0.83 ADRA1D (0.67) ADRA1DKCNH2ADRA1AADRA1BDGAT1
SCHEMBL8566160 0.83 ADRA1D (0.67) ADRA1DKCNH2ADRA1AADRA1BDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120231541-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2012-09-13 US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 US disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 US 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-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY TNNI3, TNNT2, KCNQ1 ADRA1D 593/4885KCNH2 9/4885ADRA1A 533/4885

“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.