SCHEMBL3340625

SCHEMBL3340625

O=C(c1ccon1)N1CCC2NCCCC21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
CHRNA4 P43681 2/20 0.44
MBTD1 Q05BQ5 3/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.34
SCD5 Q86SK9 5/20 0.34
GRM2 Q14416 4/20 0.33
SCD O00767 2/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
CYP3A4 P08684 1/20 0.32
KEAP1 Q14145 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL3335443 0.94 CNR2 (0.47) CNR2CHRNA4MBTD1L3MBTL3L3MBTL1
SCHEMBL3337598 0.89 CNR2 (0.48) CNR2CHRNA4MBTD1L3MBTL3SCD5
SCHEMBL3333676 0.88 CHRNA4 (0.48) CNR2CHRNA4MBTD1L3MBTL3L3MBTL1
SCHEMBL3336729 0.87 CHRNA4 (0.49) CNR2CHRNA4L3MBTL1SCD5GRM2
SCHEMBL3336090 0.82 CNR2 (0.49) CNR2CHRNA4SCD5GRM2SCD
SCHEMBL3337853 0.82 CHRNA4 (0.49) CNR2CHRNA4MBTD1L3MBTL3SCD5
SCHEMBL3337609 0.79 CHRNA4 (0.45) CHRNA4
SCHEMBL3336122 0.77 CHRNA4 (0.53) CNR2CHRNA4L3MBTL3L3MBTL1SCD5
SCHEMBL3337016 0.77 CHRNA4 (0.44) CHRNA4MBTD1L3MBTL3
SCHEMBL3334246 0.76 CHRNA4 (0.62) CNR2CHRNA4MBTD1L3MBTL3L3MBTL1

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 8/4885MBTD1 3524/4885

“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.