SCHEMBL2361063

SCHEMBL2361063

c1cncc(-c2ccc(N3CC4CNCC(C3)O4)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.54
SCD O00767 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
HTR3A P46098 1/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2322822 0.86 CHRNA7 (0.72) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL2333298 0.85 CHRNA7 (0.54) CHRNA7SCDP4HTMCHRNB4CHRNA3
SCHEMBL2328660 0.78 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3HTR3ACHRNA4
SCHEMBL3389698 0.75 CHRNA7 (0.52) CHRNA7SCDCHRNB4CHRNA3HTR3A
SCHEMBL2334243 0.74 CHRNB2 (0.68) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2329587 0.72 KMT2A (0.60) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL927977 0.71 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL2327770 0.70 CHRNA7 (0.72) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL2326058 0.70 GRM1 (0.39) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1742505 0.69 CYP2C9 (0.52) CHRNA7SCDP4HTM

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 4 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
EP-2356125-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2011-08-17 EP disclosed
WO-2010002971-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-01-07 WO 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 CHRNA7 5/4885SCD 3593/4885P4HTM 3384/4885

“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.