SCHEMBL3335666

SCHEMBL3335666

Cc1cc(C(=O)N2CC3CNCC32)on1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 13/20 0.70
HCAR2 Q8TDS4 1/20 0.43
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA7 P36544 3/20 0.39

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
SCHEMBL3333115 0.90 CHRNA4 (0.60) CHRNA4HCAR2MEN1KMT2ACHRNB2
SCHEMBL3335233 0.89 CHRNA4 (0.62) CHRNA4HCAR2MEN1KMT2ACHRNB2
SCHEMBL3340986 0.87 CHRNA4 (0.63) CHRNA4HCAR2POLBMEN1KMT2A
SCHEMBL3340302 0.85 CHRNA4 (0.60) CHRNA4HCAR2POLBMEN1KMT2A
SCHEMBL3335568 0.84 CHRNA4 (0.70) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336599 0.84 CHRNA4 (0.72) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037481 0.82 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333470 0.81 CHRNA4 (0.55) CHRNA4HCAR2MEN1KMT2ACHRNB2
SCHEMBL3336821 0.80 CHRNA4 (0.69) CHRNA4KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL3334982 0.78 CHRNA4 (0.73) CHRNA4HCAR2CHRNB2CHRNB4CHRNA3

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 8/4885HCAR2 79/4885POLB 3820/4885

“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.