SCHEMBL3340381

SCHEMBL3340381

O=C(c1ccon1)N1CCC2NCCC2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 3/20 0.60
MBTD1 Q05BQ5 3/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 1/20 0.39
DGAT1 O75907 1/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
CNR2 P34972 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SCD5 Q86SK9 2/20 0.36
CASP3 P42574 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3336003 0.92 CHRNA4 (0.56) CHRNA4MBTD1L3MBTL3L3MBTL1GRM2
SCHEMBL3336082 0.90 CHRNA4 (0.64) CHRNA4MBTD1L3MBTL3GRM2DGAT1
SCHEMBL3334203 0.90 CHRNA4 (0.67) CHRNA4MBTD1L3MBTL3GRM2DGAT1
SCHEMBL3340338 0.85 CHRNA4 (0.60) CHRNA4MBTD1L3MBTL3GRM2DGAT1
SCHEMBL3334246 0.84 CHRNA4 (0.62) CHRNA4MBTD1L3MBTL3L3MBTL1GRM2
SCHEMBL3337000 0.83 CHRNA4 (0.82) CHRNA4L3MBTL3L3MBTL1
SCHEMBL3333604 0.79 CHRNA4 (0.61) CHRNA4MBTD1L3MBTL3NPC1RAB9A
SCHEMBL3335443 0.78 CNR2 (0.47) CHRNA4MBTD1L3MBTL3L3MBTL1GRM2
SCHEMBL3332773 0.77 CHRNA4 (0.72) CHRNA4DGAT1
SCHEMBL3338813 0.77 CHRNA4 (0.60) CHRNA4MBTD1L3MBTL3L3MBTL1GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US claimed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO claimed
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE CHRNA4 8/4885MBTD1 3524/4885L3MBTL3 3188/4885

“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.