SCHEMBL3335443

SCHEMBL3335443

O=C(c1ccon1)N1CCC2NCCC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
CHRNA4 P43681 3/20 0.45
GRM2 Q14416 4/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
SCD5 Q86SK9 2/20 0.32
CYP3A4 P08684 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
DGAT1 O75907 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
IDH1 O75874 1/20 0.31
CASP3 P42574 1/20 0.31
SCD O00767 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL3340625 0.94 CNR2 (0.49) CNR2CHRNA4GRM2TLR9TLR8
SCHEMBL3337598 0.92 CNR2 (0.48) CNR2CHRNA4GRM2SCD5MBTD1
SCHEMBL3337853 0.88 CHRNA4 (0.49) CNR2CHRNA4GRM2TLR9TLR8
SCHEMBL3336729 0.88 CHRNA4 (0.49) CNR2CHRNA4GRM2TLR9TLR8
SCHEMBL3333676 0.82 CHRNA4 (0.48) CNR2CHRNA4GRM2TLR9TLR8
SCHEMBL3336090 0.81 CNR2 (0.49) CNR2CHRNA4GRM2SCD5SCD
SCHEMBL3336708 0.80 CHRNA4 (0.55) CNR2CHRNA4GRM2TLR9TLR8
SCHEMBL3340290 0.78 CHRNA4 (0.46) CHRNA4
SCHEMBL3340381 0.78 CHRNA4 (0.60) CNR2CHRNA4GRM2TLR9TLR8
SCHEMBL3336122 0.78 CHRNA4 (0.53) CNR2CHRNA4GRM2TLR9TLR8

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 CNR2 46/4885CHRNA4 8/4885GRM2 169/4885

“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.