SCHEMBL3335585

SCHEMBL3335585

O=C(c1cnco1)N1CCCC2NCC21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
CHRNA4 P43681 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.31
ITK Q08881 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
SCHEMBL3335476 0.92 CHRNA4 (0.49) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3334849 0.89 CNR1 (0.47) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3333621 0.82 CNR1 (0.48) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3334858 0.81 CHRNA4 (0.59) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3333551 0.81 CNR1 (0.47) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3334950 0.78 CHRNA7 (0.51) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337286 0.77 CHRNA4 (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3334854 0.75 CHRNA4 (0.48) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3334515 0.75 CHRNA4 (0.61) CNR1CNR2CHRNA4CHRNB2CHRNB4
SCHEMBL3340458 0.75 CHRNA4 (0.49) 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 CNR1 48/4885CNR2 46/4885CHRNA4 8/4885

“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.