SCHEMBL9906301

SCHEMBL9906301

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 1.00
CHRNA4 P43681 17/20 1.00
CHRNA7 P36544 13/20 1.00
CHRNB4 P30926 15/20 0.68
CHRNA3 P32297 15/20 0.68
DPP4 P27487 1/20 0.33
GBA1 P04062 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL2977883 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL26523161 0.84 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL716529 0.81
SCHEMBL2993986 0.81 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL4337707 0.79
SCHEMBL2991035 0.79 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6736240 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14341678 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2991031 0.78 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL23854572 0.77

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.