SCHEMBL8179136

SCHEMBL8179136

CC(=O)N1CCCN(CCCCC(=O)Nc2cc(-c3ccc(O)cc3)[nH]n2)CC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.82
CHRNA7 P36544 1/20 0.82
CHRNA3 P32297 5/20 0.67

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
SCHEMBL13660067 0.93 KCNH2 (0.82) KCNH2CHRNA7CHRNA3
SCHEMBL1854943 0.90 KCNH2 (1.00) KCNH2CHRNA7CHRNA3
Hydrochloric Acid SCHEMBL1863445 0.89 KCNH2 (0.98) KCNH2CHRNA7CHRNA3
SCHEMBL2089789 0.89 KCNH2 (0.98) KCNH2CHRNA7CHRNA3
SCHEMBL8179059 0.89 KCNH2 (0.69) KCNH2CHRNA7CHRNA3
Hydrochloric Acid SCHEMBL4085058 0.89 KCNH2 (0.97) KCNH2CHRNA7CHRNA3
SCHEMBL8188721 0.87 KCNH2 (0.79) KCNH2CHRNA7CHRNA3
SCHEMBL8193403 0.87 KCNH2 (0.81) KCNH2CHRNA7CHRNA3
SCHEMBL8179039 0.84 KCNH2 (0.80) KCNH2CHRNA7CHRNA3
SCHEMBL2055694 0.83 CHRNA7 (0.59) KCNH2CHRNA7CHRNA3

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
WO-2009091813-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-23 WO disclosed
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-16 US disclosed
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-16 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-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA2, CHRNA6 KCNH2 732/4885CHRNA7 1/4885CHRNA3 6/4885

“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.