SCHEMBL2332860

SCHEMBL2332860

CN1CC2CN(c3cnc(-c4ccccc4)nc3)CC(C1)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
MTOR P42345 1/20 0.44
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGDS O60760 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR3A P46098 1/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL929467 0.84 CHRNA7 (0.69) CHRNA7CHRNB2CHRNA4NPC1NFKB1
SCHEMBL2329942 0.83 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4MTORNPC1
SCHEMBL2329824 0.77 CHRNB2 (0.36) CHRNA7CHRNB2CHRNA4RAB9ACHRNB4
SCHEMBL2327337 0.75 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4RAB9ACHRNB4
SCHEMBL27037770 0.74 CHRNB2 (0.48) CHRNA7CHRNB2CHRNA4RAB9ACHRNB4
SCHEMBL2330022 0.74 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4RAB9ACHRNB4
SCHEMBL2322851 0.74 CHRNB4 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2329517 0.73 CHRNB2 (0.37) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL927829 0.72 CHRNA7 (0.69) CHRNA7CHRNB2CHRNA4
SCHEMBL2323489 0.72 CHRNB2 (0.53) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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
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 5/4885CHRNB2 3/4885CHRNA4 9/4885

“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.