SCHEMBL3464432

SCHEMBL3464432

NC(=O)NC1C2CCN(CC2)C1Cc1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.76
CHRNB2 P17787 11/20 0.76
CHRNA4 P43681 11/20 0.76

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
SCHEMBL373001 0.85 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL372799 0.84 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL373096 0.84 CHRNB2 (0.76) CHRNA7CHRNB2CHRNA4
SCHEMBL372648 0.83 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL1741511 0.83 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL373097 0.83 CHRNB2 (0.83) CHRNA7CHRNB2CHRNA4
SCHEMBL372727 0.83 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL372691 0.83 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL373249 0.82 CHRNB2 (0.79) CHRNA7CHRNB2CHRNA4
Tc-6987 SCHEMBL1460452 0.82 CHRNB2 (0.85) CHRNA7CHRNB2CHRNA4

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-8084462-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2011-12-27 US disclosed
US-20100240696-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2010-09-23 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-20100240696-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885CHRNB2 15/4885CHRNA4 10/4885

“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.