SCHEMBL3333664

SCHEMBL3333664

O=C(c1cc(Br)no1)N1CCC2NCCC2C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 12/20 0.62
MBTD1 Q05BQ5 3/20 0.41
L3MBTL3 Q96JM7 2/20 0.40
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 2/20 0.36
SCD O00767 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCD5 Q86SK9 1/20 0.34
USP30 Q70CQ3 2/20 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
SCHEMBL3337547 0.93 CHRNA4 (0.58) CHRNA4MBTD1L3MBTL3CHRNB2CHRNB4
SCHEMBL3333853 0.90 CHRNA4 (0.65) CHRNA4MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3332511 0.90 CHRNA4 (0.68) CHRNA4MBTD1CHRNB2CHRNB4CHRNA3
SCHEMBL3331013 0.85 CHRNA4 (0.62) CHRNA4MBTD1L3MBTL3
SCHEMBL3338561 0.85 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332420 0.85 CHRNA4 (0.64) CHRNA4MBTD1L3MBTL3SCDSCD5
SCHEMBL3335877 0.84 CHRNA4 (0.64) CHRNA4MBTD1L3MBTL3CHRNB2CHRNB4
SCHEMBL3333590 0.84 CHRNA4 (0.83) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3340173 0.79 CHRNA4 (0.47) CHRNA4MBTD1SCD5USP30
SCHEMBL3336803 0.79 CHRNA4 (0.74) 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 CHRNA4 8/4885MBTD1 3524/4885L3MBTL3 3188/4885

“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.