SCHEMBL2329940

SCHEMBL2329940

O=C(OCc1ccccc1)N1CC(CI)OC(CI)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP2C19 P33261 1/20 0.52
HTR2C P28335 2/20 0.47
P2RX4 Q99571 2/20 0.46
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
GRIN2B Q13224 3/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL2331245 0.89 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31252395 0.85 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21552247 0.85 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL505491 0.84 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL10156508 0.84 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13961998 0.84 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1189222 0.82 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9929268 0.82 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2621378 0.80 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL70762 0.80 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; 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 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 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 MEN1 3953/4885KMT2A 4151/4885NPSR1 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.