SCHEMBL1797359

SCHEMBL1797359

CN1CC2CN(c3ccc4c(c3)C(=O)c3cc(Br)ccc3-4)CC2C1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.60
S100A4 P26447 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
PTPRC P08575 1/20 0.41
BCL2 P10415 2/20 0.41
MCL1 Q07820 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
SCHEMBL1794604 0.91 CHRNA7 (0.70) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL1795082 0.90 CHRNA7 (0.68) CHRNA7KCNH2
SCHEMBL1795869 0.86 CHRNA7 (0.63) CHRNA7KCNH2
SCHEMBL1794322 0.85 CHRNA7 (0.85) CHRNA7S100A4KCNH2HRH3PTPRC
SCHEMBL1794323 0.85 CHRNA7 (0.85) CHRNA7S100A4KCNH2HRH3PTPRC
SCHEMBL22522692 0.84 CHRNA7 (0.62) CHRNA7KCNH2
SCHEMBL1792369 0.83 CHRNA7 (0.60) CHRNA7S100A4KCNH2PTPRC
SCHEMBL22522540 0.83 CHRNA7 (0.60) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL1799307 0.82 CHRNA7 (0.59) CHRNA7S100A4KCNH2PTPRC
SCHEMBL1797364 0.81 S100A4 (0.50) CHRNA7S100A4PTPRCBCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 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 (2 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 CHRNA7 8/4885S100A4 2322/4885KCNH2 535/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 CHRNA7 5/4885S100A4 2453/4885KCNH2 383/4885

“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.