SCHEMBL3020868

SCHEMBL3020868

Brc1ccc2c(c1)CCC(NCc1cc3c(cn1)OCCO3)C2

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.44
SLC2A1 P11166 1/20 0.40

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
SCHEMBL3021131 1.00 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3804841 0.86 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL3021274 0.76 KCNH2 (0.46) KCNH2
SCHEMBL3020684 0.76 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL3024007 0.76 KCNH2 (0.45) KCNH2
Hydrochloric Acid SCHEMBL3024544 0.76 KCNH2 (0.45) KCNH2
SCHEMBL3028019 0.74 MCHR1 (0.35) KCNH2
SCHEMBL15760106 0.73 KCNH2 (0.50) KCNH2SLC2A1
SCHEMBL3019036 0.72 KCNH2 (0.61) KCNH2
SCHEMBL14308959 0.71 KCNH2 (0.48) KCNH2SLC2A1

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-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH KCNH2 2445/4885SLC2A1 3070/4885

“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.