SCHEMBL2333928

SCHEMBL2333928

CC(C)(C)OC(=O)N1CC2CN(c3ccc(Cl)nn3)CC(C1)O2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GPR119 Q8TDV5 3/20 0.38
PDE10A Q9Y233 2/20 0.38
PANK3 Q9H999 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL928411 0.87 PDE10A (0.48) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL15476104 0.87 PDE10A (0.48) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL29998990 0.87 PDE10A (0.48) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL6201686 0.85 KMT2A (0.45) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL30778281 0.80 TRPV1 (0.57) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL1433407 0.80 TRPV1 (0.57) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL25182135 0.80 KMT2A (0.50) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL31104968 0.80 KMT2A (0.50) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL23603467 0.78 CNR1 (0.47) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL22470063 0.77 KMT2A (0.43) KMT2AMEN1SMN1; SMN2LMNAHTT

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 3 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 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 KMT2A 4151/4885MEN1 3953/4885SMN1; SMN2 239/4885

“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.