SCHEMBL713847

SCHEMBL713847

Cc1ccsc1C=CC(=O)NC1C2CCN(CC2)[C@H]1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 1.00
CHRNB2 P17787 9/20 1.00
CHRNA4 P43681 9/20 1.00

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
SCHEMBL372846 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL372847 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL372879 0.86 CHRNA7 (0.75) CHRNA7CHRNB2CHRNA4
SCHEMBL372880 0.86 CHRNA7 (0.75) CHRNA7CHRNB2CHRNA4
SCHEMBL372977 0.85 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4
SCHEMBL372976 0.85 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4
SCHEMBL373522 0.84 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4
SCHEMBL373182 0.84 CHRNA7 (0.84) CHRNA7CHRNB2CHRNA4
SCHEMBL3937126 0.84 CHRNA7 (0.84) CHRNA7CHRNB2CHRNA4
SCHEMBL373181 0.84 CHRNA7 (0.84) 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-8124619-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 US disclosed
US-20110071188-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2011-03-24 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-20110071188-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885CHRNB2 19/4885CHRNA4 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.