SCHEMBL3334869

SCHEMBL3334869

O=C(c1cc(Br)no1)N1CCC2NCCCC21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.46
USP30 Q70CQ3 4/20 0.39
MBTD1 Q05BQ5 3/20 0.37
L3MBTL3 Q96JM7 2/20 0.35
SCD5 Q86SK9 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3340173 0.94 CHRNA4 (0.47) CHRNA4USP30MBTD1SCD5
SCHEMBL3336867 0.89 CHRNA4 (0.45) CHRNA4USP30MBTD1L3MBTL3SCD5
SCHEMBL3338334 0.89 CHRNA4 (0.50) CHRNA4USP30MBTD1L3MBTL3SCD5
SCHEMBL3335098 0.88 CHRNA4 (0.51) CHRNA4USP30SCD5TP53GAA
SCHEMBL3340785 0.85 CHRNA4 (0.46) CHRNA4USP30MBTD1L3MBTL3
SCHEMBL3332944 0.85 CHRNA4 (0.49) CHRNA4USP30MBTD1L3MBTL3SCD5
SCHEMBL3336005 0.83 CHRNA4 (0.49) CHRNA4USP30SCD5TP53GAA
SCHEMBL3331007 0.82 CHRNA4 (0.51) CHRNA4USP30
SCHEMBL3336065 0.79 CHRNA4 (0.47) CHRNA4USP30
SCHEMBL3338954 0.79 CHRNA4 (0.50) CHRNA4USP30

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 8/4885USP30 4404/4885MBTD1 3524/4885

“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.