SCHEMBL3333588

SCHEMBL3333588

Cc1oncc1C(=O)N1CCC2CNCC21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 9/20 0.54
LMNA P02545 2/20 0.40
SLC8A1 P32418 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
THRB P10828 1/20 0.36
PIM1 P11309 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
AGTR1 P30556 1/20 0.36
CCKBR P32239 1/20 0.36
MC4R P32245 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL3336703 0.93 CHRNA4 (0.52) CHRNA4LMNASLC8A1NPC1GMNN
SCHEMBL3333240 0.91 CHRNA4 (0.50) CHRNA4LMNANPC1GMNNTP53
SCHEMBL3336815 0.90 CHRNA4 (0.49) CHRNA4LMNANPC1GMNNTP53
SCHEMBL3337699 0.87 CHRNA4 (0.60) CHRNA4LMNACHRNB2CHRNB4CHRNA3
SCHEMBL3332375 0.82 CHRNA4 (0.54) CHRNA4LMNACHRNB2CHRNB4CHRNA3
SCHEMBL3337899 0.81 CHRNA4 (0.49) CHRNA4LMNANPC1GMNNTP53
SCHEMBL3337886 0.80 CHRNA4 (0.64) CHRNA4LMNACHRNB2CHRNB4CHRNA3
SCHEMBL3335828 0.79 CHRNA4 (0.53) CHRNA4LMNACHRNB2CHRNB4CHRNA3
SCHEMBL3332950 0.79 CHRNA4 (0.62) CHRNA4LMNAHTTNPSR1CHRNB2
SCHEMBL3334169 0.78 CHRNA4 (0.45) CHRNA4LMNANPC1GMNNTP53

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 8/4885LMNA 1930/4885SLC8A1 702/4885

“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.