SCHEMBL3330649

SCHEMBL3330649

Cc1oncc1C(=O)N1CC2CCNC2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 6/20 0.58
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
SCN9A Q15858 1/20 0.38
KDM1A O60341 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CRACR2A Q9BSW2 1/20 0.35
PIK3CD O00329 2/20 0.35

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
SCHEMBL3337497 0.94 CHRNA4 (0.55) CHRNA4PARP1LMNAHCRTR1HCRTR2
SCHEMBL3335221 0.93 CHRNA4 (0.53) CHRNA4PARP1LMNAHCRTR1HCRTR2
SCHEMBL3335686 0.90 CHRNA4 (0.53) CHRNA4LMNAHCRTR1HCRTR2PIK3CA
SCHEMBL3335455 0.88 CHRNA4 (0.63) CHRNA4LMNAHCRTR1HCRTR2SCN9A
SCHEMBL3338227 0.85 CHRNA4 (0.56) CHRNA4LMNAHCRTR1HCRTR2SCN9A
SCHEMBL3333388 0.82 CHRNA4 (0.65) CHRNA4LMNACHRNB2CHRNB4CHRNA3
SCHEMBL3339858 0.80 CHRNA4 (0.56) CHRNA4LMNAHCRTR1HCRTR2PIK3CA
SCHEMBL3335794 0.80 CHRNA4 (0.49) CHRNA4LMNAHCRTR1HCRTR2PIK3CA
SCHEMBL3337886 0.79 CHRNA4 (0.64) CHRNA4LMNAHCRTR1HCRTR2CHRNB2
SCHEMBL3334188 0.78 CHRNA4 (0.67) CHRNA4LMNACHRNB2CHRNB4CHRNA3

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 3 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
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 8/4885PARP1 4304/4885LMNA 1930/4885

“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.