SCHEMBL3336082

SCHEMBL3336082

O=C(c1ccon1)N1CCC2NCC2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 7/20 0.64
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
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 3/20 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
SCD O00767 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
SCHEMBL3340338 0.90 CHRNA4 (0.60) CHRNA4GRM2DGAT1TLR9TLR8
SCHEMBL3340381 0.90 CHRNA4 (0.60) CHRNA4GRM2DGAT1TLR9TLR8
SCHEMBL3332773 0.88 CHRNA4 (0.72) CHRNA4DGAT1CHRNB2CHRNB4CHRNA3
SCHEMBL3337000 0.83 CHRNA4 (0.82) CHRNA4L3MBTL3CHRNB2CHRNB4CHRNA3
SCHEMBL3336003 0.82 CHRNA4 (0.56) CHRNA4GRM2DGAT1TLR9TLR8
SCHEMBL3334203 0.79 CHRNA4 (0.67) CHRNA4GRM2DGAT1TLR9TLR8
SCHEMBL3335769 0.79 CHRNA4 (0.64) CHRNA4SCD5
SCHEMBL585445 0.78 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332384 0.77 CHRNA4 (0.64) CHRNA4GRM2CHRNB2CHRNB4CHRNA3
SCHEMBL3333628 0.76 CHRNA4 (0.84) 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 8/4885GRM2 169/4885DGAT1 2435/4885

“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.