SCHEMBL5114317

SCHEMBL5114317

c1ccc(-c2ccc(-c3ncn(C4CN5CCC4CC5)n3)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL5110038 0.89 HTR3A (0.46) HTR3A
SCHEMBL5113328 0.83 HTR3A (0.41) HTR3A
SCHEMBL4985415 0.78 HTR3A (0.48) HTR3ACHRNB2CHRNA4
SCHEMBL4985407 0.78 HTR3A (0.48) HTR3ACHRNB2CHRNA4
SCHEMBL13733192 0.77 HTR3A (0.71) HTR3ACHRNB2CHRNA4
SCHEMBL15441263 0.77 HTR3A (0.71) HTR3ACHRNB2CHRNA4
SCHEMBL5110768 0.68 KCNH2 (0.57)
SCHEMBL4986626 0.68 DRD2 (0.50) CHRNB2CHRNA4
SCHEMBL4986638 0.68 DRD2 (0.50) CHRNB2CHRNA4
SCHEMBL9024333 0.68

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 5 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
EP-1831212-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065217-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO 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 HTR3A 214/4885CHRNB2 16/4885CHRNA4 14/4885

“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.