SCHEMBL2329587

SCHEMBL2329587

Clc1ccc(N2CC3CNCC(C2)O3)nn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CHRNB2 P17787 3/20 0.56
CHRNA4 P43681 3/20 0.56
BPTF Q12830 1/20 0.53
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CHRNA7 P36544 1/20 0.41
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL2326761 0.87 CHRNA7 (0.53) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL20929379 0.85 KMT2A (0.66) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL928037 0.82 CHRNB2 (0.61) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL2327119 0.81 KMT2A (0.65) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL7687884 0.79 CHRNB2 (0.58) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL2322822 0.77 CHRNA7 (0.72) KMT2ACHRNB4CHRNA3CHRNA7MEN1
SCHEMBL20929369 0.76 KMT2A (1.00) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL20929375 0.76 KMT2A (1.00) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL21588370 0.76 KMT2A (1.00) KMT2ACHRNB2CHRNA4BPTFCHRNB4
SCHEMBL30138345 0.76 KMT2A (1.00) KMT2ACHRNB2CHRNA4BPTFCHRNB4

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 9 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
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
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 KMT2A 4151/4885CHRNB2 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.