SCHEMBL3340338

SCHEMBL3340338

O=C(c1ccon1)N1CCC2CNC2C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 12/20 0.60
SCN9A Q15858 1/20 0.42
GRM2 Q14416 1/20 0.39
DGAT1 O75907 1/20 0.39
CHRNB2 P17787 10/20 0.38
CHRNB4 P30926 10/20 0.38
CHRNA3 P32297 10/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
CNR2 P34972 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
CASP3 P42574 1/20 0.36

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 0.90 CHRNA4 (0.56) CHRNA4SCN9AGRM2DGAT1TLR9
SCHEMBL3336082 0.90 CHRNA4 (0.64) CHRNA4SCN9AGRM2DGAT1CHRNB2
SCHEMBL3332773 0.88 CHRNA4 (0.72) CHRNA4SCN9ADGAT1CHRNB2CHRNB4
SCHEMBL3340381 0.85 CHRNA4 (0.60) CHRNA4GRM2DGAT1TLR9TLR8
SCHEMBL3334203 0.84 CHRNA4 (0.67) CHRNA4SCN9AGRM2DGAT1CHRNB2
SCHEMBL3337000 0.83 CHRNA4 (0.82) CHRNA4CHRNB2CHRNB4CHRNA3L3MBTL3
SCHEMBL3334246 0.81 CHRNA4 (0.62) CHRNA4SCN9AGRM2DGAT1CHRNB2
SCHEMBL3334216 0.79 CHRNA4 (0.61) CHRNA4SCN9ACHRNB2CHRNB4CHRNA3
SCHEMBL3335526 0.77 CHRNA4 (0.60) CHRNA4SCN9ACHRNB2CHRNB4CHRNA3
SCHEMBL3332672 0.76 CHRNB2 (0.56) CHRNA4CHRNB2CHRNB4CHRNA3MBTD1

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 8/4885SCN9A 165/4885GRM2 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.