SCHEMBL5744944

SCHEMBL5744944

NC1CCN(CCc2c(F)cnc3ccc(F)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.46
SSTR2 P30874 9/20 0.42
SLC2A1 P11166 1/20 0.42
SSTR4 P31391 2/20 0.38

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
SCHEMBL6080089 0.88 SSTR2 (0.44) KCNH2SSTR2SLC2A1SSTR4
SCHEMBL5744510 0.85 KCNH2 (0.62) KCNH2SSTR2SLC2A1
SCHEMBL6079889 0.82 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL5744836 0.76 SSTR2 (0.48) KCNH2SSTR2SLC2A1
Hydrochloric Acid SCHEMBL6079487 0.74 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL5746094 0.74 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL6079988 0.74 CYP19A1 (0.45) KCNH2SSTR2SLC2A1
SCHEMBL5746290 0.73 SLC2A1 (0.51) KCNH2SLC2A1
SCHEMBL5744249 0.72 KCNH2 (0.49) KCNH2SSTR2SLC2A1
SCHEMBL5747539 0.72 KCNH2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885SSTR2 4859/4885SLC2A1 4409/4885

“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.