SCHEMBL3020684

SCHEMBL3020684

O=c1ccc2ccc(F)cc2n1-c1ccc2c(c1)CC[C@H](NCc1cc3c(cn1)OCCO3)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.46
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL3021274 1.00 KCNH2 (0.46) KCNH2HTR1DHTR1B
Hydrochloric Acid SCHEMBL3024544 0.99 KCNH2 (0.45) KCNH2HTR1DHTR1B
Hydrochloric Acid SCHEMBL3024007 0.99 KCNH2 (0.45) KCNH2HTR1DHTR1B
SCHEMBL3028539 0.81 KCNH2 (0.36) KCNH2
SCHEMBL3019036 0.77 KCNH2 (0.61) KCNH2
SCHEMBL3020868 0.76 KCNH2 (0.44) KCNH2
SCHEMBL3021131 0.76 KCNH2 (0.44) KCNH2
SCHEMBL705046 0.74 KCNH2 (0.78) KCNH2
Hydrochloric Acid SCHEMBL4297121 0.74 KCNH2 (0.77) KCNH2
Benzoic Acid SCHEMBL3024182 0.72 KCNH2 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US claimed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP claimed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO claimed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
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 2445/4885HTR1D 4424/4885HTR1B 3576/4885

“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.