Sugi Predict

Sugi Predict / Compounds / SCHEMBL1797361

SCHEMBL1797361

SCHEMBL1797361

CN1C=C2CN(c3ccc4c(c3)C(=O)c3cc(Br)ccc3-4)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.45
▸ S100A4 P26447 1/20 0.41
▸ PTPRC P08575 1/20 0.37
▸ BCL2 P10415 2/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1792373 0.85 CHRNA7 (0.45) CHRNA7S100A4PTPRCMEN1KMT2A
Hydrochloric Acid SCHEMBL1799308 0.84 CHRNA7 (0.44) CHRNA7S100A4PTPRCMEN1KMT2A
SCHEMBL1794904 0.83 CHRNA7 (0.43) CHRNA7MEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL1792775 0.82 CHRNA7 (0.43) CHRNA7MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1794698 0.77 CHRNA7 (0.38) CHRNA7
SCHEMBL1797359 0.76 CHRNA7 (0.60) CHRNA7S100A4PTPRCBCL2MCL1
SCHEMBL1797364 0.73 S100A4 (0.50) CHRNA7S100A4PTPRCBCL2MCL1
SCHEMBL1794323 0.72 CHRNA7 (0.85) CHRNA7S100A4PTPRCBCL2MCL1
SCHEMBL1794322 0.72 CHRNA7 (0.85) CHRNA7S100A4PTPRCBCL2MCL1
SCHEMBL2879271 0.68 MAPT (0.44) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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 5 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
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — 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 (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 2322/4885PTPRC 3010/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 CHRNA7 5/4885S100A4 2453/4885PTPRC 3270/4885

“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.