SCHEMBL3335401

SCHEMBL3335401

Cc1nocc1C(=O)N1CCC2NCCC2C1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 5/20 0.62
MBTD1 Q05BQ5 3/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
PADI4 Q9UM07 1/20 0.34
PLAT P00750 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL3340506 0.93 CHRNA4 (0.58) CHRNA4MBTD1L3MBTL3TLR9TLR8
SCHEMBL3335762 0.90 CHRNA4 (0.65) CHRNA4MBTD1L3MBTL3TLR9TLR8
SCHEMBL3335784 0.90 CHRNA4 (0.68) CHRNA4MBTD1L3MBTL3TLR9TLR8
SCHEMBL3336445 0.85 CHRNA4 (0.62) CHRNA4TLR9TLR8TLR7PIK3CD
SCHEMBL3332658 0.84 CHRNA4 (0.64) CHRNA4MBTD1L3MBTL3TLR9TLR8
SCHEMBL3335565 0.84 CHRNA4 (0.83) CHRNA4L3MBTL3TLR9TLR8TLR7
SCHEMBL3333670 0.79 CHRNA4 (0.47) CHRNA4TLR9TLR8TLR7PIK3CD
SCHEMBL3337611 0.79 CHRNA4 (0.74) CHRNA4TLR9TLR8TLR7
SCHEMBL3335686 0.78 CHRNA4 (0.53) CHRNA4MBTD1L3MBTL3PIK3CDPIK3CA
SCHEMBL3339792 0.78 CHRNA4 (0.85) CHRNA4

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 8/4885MBTD1 3524/4885L3MBTL3 3188/4885

“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.