SCHEMBL2328660

SCHEMBL2328660

c1cc(-c2ccc(N3CC4CNCC(C3)O4)nn2)co1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.50
HTR3A P46098 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNA4 P43681 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
SCHEMBL928155 0.87 CHRNA7 (0.67) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL2331059 0.85 CHRNA7 (0.50) CHRNA7HTR3ACHRNB4CHRNA3ALDH1A1
SCHEMBL2322822 0.83 CHRNA7 (0.72) CHRNA7HTR3ACHRNB4CHRNA3ALDH1A1
SCHEMBL2361063 0.78 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
Trifluoroacetic Acid SCHEMBL1805960 0.77 CHRNA7 (0.74) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL930385 0.76 CHRNA7 (0.67) CHRNA7HTR3ACHRNB4CHRNA3ALDH1A1
SCHEMBL3391442 0.75 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3ALDH1A1
SCHEMBL2329587 0.74 KMT2A (0.60) CHRNA7CHRNB4CHRNA3CYP1A2CHRNA4
SCHEMBL2677896 0.73 CHRNA7 (0.43) CHRNA7HTR3ACHRNB4CHRNA3ALDH1A1
SCHEMBL927977 0.67 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3KCNH2

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 5/4885HTR3A 351/4885CHRNB4 10/4885

“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.