SCHEMBL2990517

SCHEMBL2990517

O=C(OCC(F)(F)F)C1CC2CNCC2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.53
CHRNA4 P43681 10/20 0.53
CHRNA7 P36544 9/20 0.53
CHRNB4 P30926 8/20 0.53
CHRNA3 P32297 8/20 0.53
HTT P42858 1/20 0.37
FABP7 O15540 1/20 0.35
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21775366 0.84 HTT (0.41) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2987218 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906295 0.80 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2978275 0.80 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2987032 0.77 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906296 0.77 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5793024 0.75 HTT (0.46) HTTFABP7ALDH1A1MAPTL3MBTL1
SCHEMBL5319074 0.75 HTT (0.46) HTTFABP7ALDH1A1MAPTL3MBTL1
SCHEMBL9906290 0.74 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2985679 0.74 CHRNB2 (0.55) 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-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 3/4885CHRNA7 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.