SCHEMBL3334145

SCHEMBL3334145

O=C(c1cnoc1)N1CCC2CC1CN2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
PDE4B Q07343 2/20 0.33
KDM1A O60341 1/20 0.32
JAK1 P23458 1/20 0.32
CDK4 P11802 5/20 0.31
CDK1 P06493 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA7 P36544 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
SCHEMBL3332982 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3330896 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3333501 0.77 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3335822 0.76 JAK1 (0.33) JAK1
SCHEMBL3330961 0.75 CHRNA4 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3332497 0.75 CHRNA4 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3337632 0.74 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3332884 0.74 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3335063 0.74 CHRNA4 (0.48) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3338602 0.74 CHRNA4 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 CHRNB2 4/4885CHRNA4 8/4885CHRNA3 6/4885

“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.