SCHEMBL2534802

SCHEMBL2534802

Clc1cncc(N2CC3CNCC(C2)O3)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.59
CHRNA3 P32297 4/20 0.59
CHRNB2 P17787 6/20 0.57
CHRNA4 P43681 6/20 0.57
CHRNA1 P02708 1/20 0.52
CHRNA7 P36544 1/20 0.52

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
SCHEMBL6190440 0.83 CHRNB2 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL2326712 0.82 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL2327327 0.82 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2326111 0.82 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2330630 0.82 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6186900 0.80 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL6187169 0.80 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL2323197 0.79 CHRNB2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2330764 0.79 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2327464 0.78 CHRNB2 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4

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-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 US claimed
US-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 US disclosed
US-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 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-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA5, CHRNA2, CHRNB2 CHRNB4 10/4885CHRNA3 7/4885CHRNB2 3/4885

“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.