SCHEMBL3333584

SCHEMBL3333584

COc1cc(C(=O)N2CC3NCCC32)on1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.54
USP30 Q70CQ3 4/20 0.37
ACACB O00763 1/20 0.33
SCD O00767 1/20 0.32
LMNA P02545 1/20 0.32
SCD5 Q86SK9 1/20 0.31

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
SCHEMBL3336984 0.94 CHRNA4 (0.53) CHRNA4USP30ACACBSCDLMNA
SCHEMBL3338954 0.89 CHRNA4 (0.50) CHRNA4USP30ACACBSCD
SCHEMBL3334936 0.87 CHRNA4 (0.48) CHRNA4USP30SCDLMNASCD5
SCHEMBL3331007 0.84 CHRNA4 (0.51) CHRNA4USP30
SCHEMBL3337068 0.84 CHRNA4 (0.51) CHRNA4
SCHEMBL3332944 0.84 CHRNA4 (0.49) CHRNA4USP30SCDSCD5
SCHEMBL3339863 0.81 CHRNA4 (0.64) CHRNA4USP30
SCHEMBL3335848 0.81 CHRNA4 (0.70) CHRNA4USP30SCDLMNASCD5
SCHEMBL3341400 0.80 CHRNA4 (0.62) CHRNA4USP30
SCHEMBL3333206 0.79 CHRNA4 (0.53) CHRNA4USP30ACACB

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 3 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
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 8/4885USP30 4404/4885ACACB 575/4885

“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.