SCHEMBL3334199

SCHEMBL3334199

O=C(c1cnoc1)N1CC2CCCNC2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
L3MBTL3 Q96JM7 4/20 0.47
MBTD1 Q05BQ5 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.41
KDM1A O60341 2/20 0.37
CHRNA4 P43681 6/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA7 P36544 4/20 0.36
HRH4 Q9H3N8 2/20 0.34
VNN1 O95497 1/20 0.33
JAK1 P23458 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL3338913 0.94 MBTD1 (0.41) PARP1L3MBTL3MBTD1L3MBTL1CHRNA4
SCHEMBL3338506 0.86 L3MBTL3 (0.48) PARP1L3MBTL3MBTD1L3MBTL1CHRNA4
SCHEMBL3338771 0.85 CHRNA4 (0.43) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3338678 0.84 L3MBTL3 (0.48) PARP1L3MBTL3MBTD1L3MBTL1CHRNA4
SCHEMBL3333432 0.81 CHRNB2 (0.40) L3MBTL3MBTD1CHRNA4CHRNB2CHRNB4
SCHEMBL3330914 0.80 MBTD1 (0.37) PARP1L3MBTL3MBTD1L3MBTL1JAK1
SCHEMBL3333790 0.79 CHRNB2 (0.58) PARP1L3MBTL3MBTD1L3MBTL1CHRNA4
SCHEMBL3332699 0.79 CHRNA4 (0.61) PARP1L3MBTL3MBTD1L3MBTL1KDM1A
SCHEMBL3333335 0.78 CHRNA4 (0.50) L3MBTL3L3MBTL1CHRNA4CHRNB2CHRNB4
SCHEMBL585203 0.77 CHRNA4 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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 PARP1 4304/4885L3MBTL3 3188/4885MBTD1 3524/4885

“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.