SCHEMBL2331248

SCHEMBL2331248

CC1CN(C(=O)OCc2ccccc2)CC(C)O1.[Hg].[Hg]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTR2C P28335 1/20 0.53
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
FKBP1A P62942 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL23091671 0.91 SMN1; SMN2 (0.54) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL16472423 0.85 SMN1; SMN2 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL14372548 0.85 SMN1; SMN2 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL15218647 0.85 SMN1; SMN2 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL1314009 0.84 NPC1 (0.58) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL505491 0.84 MEN1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL10156508 0.84 MEN1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL13961998 0.84 MEN1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL17946346 0.83 SMN1; SMN2 (0.62) KMT2AMEN1NPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1313055 0.83 NPC1 (0.57) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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 3953/4885NPSR1 66/4885

“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.