SCHEMBL4114754

SCHEMBL4114754

CN1C[C@H]2CN(c3cncc(Br)c3)C[C@H]21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.57
CHRNA4 P43681 8/20 0.57
CHRNB4 P30926 6/20 0.57
CHRNA3 P32297 6/20 0.57
CHRNA7 P36544 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4114802 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25614276 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4114813 0.78 CHRNA7 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4114819 0.78 CHRNA7 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6187377 0.76 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30811682 0.74 CHRNB4 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4120180 0.73 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15015937 0.73 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4120182 0.73 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4108977 0.73 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC CHRNB2 3338/4885CHRNA4 3801/4885CHRNB4 3970/4885

“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.