SCHEMBL3336708

SCHEMBL3336708

O=C(c1ccon1)N1CCC2CNCCC21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.55
CNR2 P34972 1/20 0.46
SCD5 Q86SK9 3/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SLC8A1 P32418 1/20 0.33
GRM2 Q14416 2/20 0.32
USP30 Q70CQ3 1/20 0.32
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 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
SCHEMBL3336122 0.91 CHRNA4 (0.53) CHRNA4CNR2SCD5CHRNB2CHRNA7
SCHEMBL3340445 0.90 CHRNA4 (0.61) CHRNA4CNR2CHRNB2CHRNA7CHRNB4
SCHEMBL3333566 0.89 CHRNA4 (0.60) CHRNA4CNR2CHRNB2CHRNA7CHRNB4
SCHEMBL3334817 0.82 CHRNA4 (0.59) CHRNA4CNR2SCD5CHRNB2CHRNA7
SCHEMBL3334548 0.82 CHRNA4 (0.58) CHRNA4CNR2CHRNB2CHRNA7CHRNB4
SCHEMBL3335443 0.80 CNR2 (0.47) CHRNA4CNR2SCD5CHRNB2CHRNA7
SCHEMBL3339268 0.79 CHRNA4 (0.56) CHRNA4SCD5
SCHEMBL3333628 0.78 CHRNA4 (0.84) CHRNA4CHRNB2CHRNA7CHRNB4CHRNA3
SCHEMBL3336729 0.78 CHRNA4 (0.49) CHRNA4CNR2SCD5CHRNB2CHRNA7
SCHEMBL3335473 0.78 CHRNA4 (0.55) CHRNA4CHRNB2CHRNA7CHRNB4CHRNA3

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 8/4885CNR2 46/4885SCD5 4395/4885

“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.