SCHEMBL2991031

SCHEMBL2991031

CC(C)NC(=O)C1CC2CNCC2C1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.71
CHRNA4 P43681 14/20 0.71
CHRNB4 P30926 13/20 0.71
CHRNA3 P32297 13/20 0.71
CHRNA7 P36544 11/20 0.71
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL15541418 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19531885 0.84 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2985726 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL21640904 0.82 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20068837 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9906301 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2977883 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16665637 0.77 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16437480 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16437470 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP claimed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 WO claimed
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
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP disclosed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 CHRNB2 1/4885CHRNA4 3/4885CHRNB4 2/4885

“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.