SCHEMBL3335686

SCHEMBL3335686

Cc1oncc1C(=O)N1CCC2NCCC2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 3/20 0.53
HCRTR1 O43613 8/20 0.42
HCRTR2 O43614 8/20 0.42
MBTD1 Q05BQ5 3/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
LMNA P02545 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.35
CRACR2A Q9BSW2 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
SCHEMBL3335221 0.93 CHRNA4 (0.53) CHRNA4HCRTR1HCRTR2MBTD1L3MBTL3
SCHEMBL3339858 0.90 CHRNA4 (0.56) CHRNA4HCRTR1HCRTR2LMNAPIK3CD
SCHEMBL3330649 0.90 CHRNA4 (0.58) CHRNA4HCRTR1HCRTR2LMNAPIK3CD
SCHEMBL3338227 0.85 CHRNA4 (0.56) CHRNA4HCRTR1HCRTR2LMNAPIK3CD
SCHEMBL3337497 0.84 CHRNA4 (0.55) CHRNA4HCRTR1HCRTR2MBTD1L3MBTL3
SCHEMBL3337886 0.84 CHRNA4 (0.64) CHRNA4HCRTR1HCRTR2LMNA
SCHEMBL3334169 0.79 CHRNA4 (0.45) CHRNA4HCRTR1HCRTR2LMNAPIK3CD
SCHEMBL3335963 0.79 CHRNA4 (0.61) CHRNA4MBTD1L3MBTL3LMNAL3MBTL1
SCHEMBL3335455 0.79 CHRNA4 (0.63) CHRNA4HCRTR1HCRTR2LMNA
SCHEMBL3335401 0.78 CHRNA4 (0.62) CHRNA4HCRTR1HCRTR2MBTD1L3MBTL3

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 8/4885HCRTR1 56/4885HCRTR2 24/4885

“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.