SCHEMBL3334246

SCHEMBL3334246

O=C(c1ccon1)N1CC2CCCNC2C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 7/20 0.62
PARP1 P09874 2/20 0.47
MBTD1 Q05BQ5 3/20 0.44
KDM1A O60341 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 1/20 0.37
CNR2 P34972 1/20 0.36
DGAT1 O75907 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA7 P36544 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
GRM2 Q14416 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL3334203 0.94 CHRNA4 (0.67) CHRNA4PARP1MBTD1KDM1AL3MBTL3
SCHEMBL3336003 0.86 CHRNA4 (0.56) CHRNA4MBTD1L3MBTL3L3MBTL1SCN9A
SCHEMBL3332773 0.84 CHRNA4 (0.72) CHRNA4SCN9ADGAT1CHRNB2CHRNB4
SCHEMBL3340381 0.84 CHRNA4 (0.60) CHRNA4MBTD1L3MBTL3L3MBTL1CNR2
SCHEMBL3340338 0.81 CHRNA4 (0.60) CHRNA4MBTD1L3MBTL3SCN9ACNR2
SCHEMBL3333676 0.80 CHRNA4 (0.48) CHRNA4PARP1MBTD1L3MBTL3L3MBTL1
SCHEMBL3334231 0.79 CHRNA4 (0.63) CHRNA4PARP1MBTD1KDM1AL3MBTL3
SCHEMBL3333628 0.78 CHRNA4 (0.84) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333856 0.78 CHRNA4 (0.62) CHRNA4PARP1MBTD1KDM1AL3MBTL3
SCHEMBL585445 0.77 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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 8/4885PARP1 4304/4885MBTD1 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.