SCHEMBL3337480

SCHEMBL3337480

Cc1nocc1C(=O)N1CCCC2NCC21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.49
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
TAS1R2 Q8TE23 4/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NAMPT P43490 1/20 0.30
HSD11B1 P28845 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
PIK3CD O00329 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3336279 0.93 CHRNA4 (0.51) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3333149 0.89 CHRNA4 (0.45) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3332513 0.83 CHRNA4 (0.46) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3337595 0.82 CHRNA4 (0.60) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3333670 0.81 CHRNA4 (0.47) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3335919 0.78 CHRNA4 (0.47) CHRNA4TAS1R3TAS1R1TAS1R2HCRTR1
SCHEMBL3336473 0.77 CHRNA4 (0.48) CHRNA4
SCHEMBL3340473 0.77 CHRNA4 (0.50) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3333553 0.77 CHRNA4 (0.63) CHRNA4TAS1R3TAS1R1TAS1R2TLR9
SCHEMBL3337107 0.77 CHRNA4 (0.48) 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 8/4885TAS1R3 1487/4885TAS1R1 1377/4885

“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.