SCHEMBL2330261

SCHEMBL2330261

CN1CC2CN(c3cncc(Oc4ccc(Cl)c(Cl)c4)c3)CC(C1)O2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
HRH4 Q9H3N8 1/20 0.38
CCR6 P51684 1/20 0.38
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
HAO1 Q9UJM8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL2326087 0.86 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3HAO1
SCHEMBL2323153 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2326712 0.77 CHRNB4 (0.55) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2322600 0.73 CHRNB4 (0.51) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2333614 0.72 CHRNB4 (0.42) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2326843 0.71 CHRNB2 (0.51) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2329517 0.69 CHRNB2 (0.37) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2327292 0.69 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2327674 0.69 CHRNB2 (0.53) CHRNB2CHRNA4CCR6CHRNB4CHRNA3
SCHEMBL2323489 0.67 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3

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 6 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
EP-2356125-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2011-08-17 EP claimed
WO-2010002971-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-01-07 WO 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
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 CHRNB2 3/4885CHRNA4 9/4885HRH4 360/4885

“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.