SCHEMBL9906281

SCHEMBL9906281

O=C(C1CCCCC1)C1C[C@H]2CNC[C@H]2C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.80
CHRNA4 P43681 7/20 0.80
CHRNA3 P32297 6/20 0.80
CHRNB4 P30926 5/20 0.80
CHRNA7 P36544 5/20 0.80
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SLC6A1 P30531 2/20 0.36
TSHR P16473 2/20 0.36
SLC6A11 P48066 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD11B1 P28845 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL2994269 1.00 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL9906280 0.98 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2990288 0.98 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL14049440 0.98 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2992845 0.94 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2986204 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1309349 0.82 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2987206 0.82 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2991700 0.80 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2992177 0.79 CHRNB2 (0.84) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 2 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-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 3/4885CHRNA3 11/4885

“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.