SCHEMBL2250563

SCHEMBL2250563

COc1ccc2nccc(CCC3(O)CCC4(CC3)CN(C3=COC=C(C5=CC=CCC5)O3)C(=O)O4)c2n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 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
SCHEMBL590222 0.77 KCNH2 (0.34) KCNH2
SCHEMBL592236 0.77 GRM2 (0.33) KCNH2
SCHEMBL590245 0.77 GRM2 (0.33) KCNH2
SCHEMBL590299 0.77 KCNH2 (0.32) KCNH2
SCHEMBL590281 0.77 KCNH2 (0.34) KCNH2
SCHEMBL592742 0.77 KCNH2 (0.32) KCNH2
SCHEMBL591594 0.77 KCNH2 (0.32) KCNH2
SCHEMBL589831 0.77 KCNH2 (0.32) KCNH2
SCHEMBL590884 0.77 KCNH2 (0.34) KCNH2
SCHEMBL591642 0.77 KCNH2 (0.34) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 US claimed
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP claimed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US claimed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 EP claimed
WO-2008026172-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 WO claimed
US-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 US disclosed
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP disclosed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 EP disclosed
WO-2008026172-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 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 (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-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES NR0B1, NRDC, NR4A1 KCNH2 1177/4885

“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.