SCHEMBL3335880

SCHEMBL3335880

O=C(c1cnco1)N1CCC2NCC2C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 11/20 0.64
CHRNB2 P17787 8/20 0.64
CHRNB4 P30926 8/20 0.64
CHRNA3 P32297 8/20 0.64
CHRNA7 P36544 4/20 0.64
RIPK1 Q13546 1/20 0.43
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PIK3CD O00329 6/20 0.36
PIK3CA P42336 6/20 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
SCHEMBL3335496 0.90 CHRNA4 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335054 0.90 CHRNA4 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336454 0.88 CHRNA4 (0.72) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333912 0.83 CHRNA4 (0.82) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336750 0.82 CHRNA4 (0.56) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335977 0.79 CHRNA4 (0.67) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL585222 0.78 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334577 0.78 CHRNB2 (0.63) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3338966 0.77 CHRNA4 (0.64) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14731489 0.77 CHRNA4 (0.56) 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 8/4885CHRNB2 4/4885CHRNB4 12/4885

“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.