SCHEMBL9906284

SCHEMBL9906284

O=C(OCC1CCOC1)C1C[C@H]2CNC[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNA7 P36544 4/20 0.45
CHRNB4 P30926 3/20 0.45
CHRNA3 P32297 3/20 0.45
AOC3 Q16853 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2980710 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2985679 0.83 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906290 0.83 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2982411 0.76 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906292 0.76 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL23959837 0.74 AOC3 (0.34) AOC3HDAC3HDAC1HDAC2TP53
SCHEMBL25879290 0.73 AOC3 (0.33) AOC3HDAC3HDAC1HDAC2TP53
SCHEMBL399191 0.73 HDAC3 (0.37) AOC3HDAC3HDAC1HDAC2
SCHEMBL3431890 0.72 AOC3 (0.41) AOC3HDAC3HDAC1HDAC2TP53
SCHEMBL9906285 0.72 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 CHRNB2 1/4885CHRNA4 3/4885CHRNA7 8/4885

“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.