SCHEMBL5111576

SCHEMBL5111576

c1ccc(-c2ccc(-c3nnc(C4CN5CCC4CC5)o3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
CHRNA7 P36544 6/20 0.43
HTR3E A5X5Y0 4/20 0.43
HTR3B O95264 4/20 0.43
HTR3A P46098 4/20 0.43
HTR3D Q70Z44 4/20 0.43
HTR3C Q8WXA8 4/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL5107232 0.83 KCNH2 (0.50) KCNH2CHRNA7TLR9TLR8TLR7
SCHEMBL5114288 0.81 KCNH2 (0.79) KCNH2CHRNA7TLR9TLR8TLR7
SCHEMBL5110768 0.78 KCNH2 (0.57) KCNH2
SCHEMBL5112511 0.72 KCNH2 (1.00) KCNH2TLR9TLR8TLR7
SCHEMBL5113309 0.70 KCNH2 (0.52) KCNH2TLR7
SCHEMBL15441263 0.70 HTR3A (0.71) HTR3A
SCHEMBL13733192 0.70 HTR3A (0.71) HTR3A
SCHEMBL5114200 0.68 KCNH2 (0.72) KCNH2
SCHEMBL5109569 0.67 KCNH2 (0.61) KCNH2TLR9TLR8TLR7
SCHEMBL9718617 0.67 KCNH2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US claimed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 KCNH2 501/4885CHRNA7 7/4885HTR3E 315/4885

“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.