SCHEMBL5094763

SCHEMBL5094763

CNC1CCCCN1c1cnc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.43
CHRNA4 P43681 14/20 0.43
CHRNB4 P30926 12/20 0.43
CHRNA3 P32297 12/20 0.43
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL4825392 0.99 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL905234 0.96 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
Hydrochloric Acid SCHEMBL4820620 0.94 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4828953 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5094535 0.86 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4821492 0.86 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
Hydrochloric Acid SCHEMBL5103132 0.86 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5090913 0.86 ALDH1A1 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5096818 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4827629 0.85 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US claimed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP claimed
JP-2003500402-A 2003-01-07 JP claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP claimed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO claimed
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 US disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP disclosed
EP-1002011-B1 ELASTOMERIC MATERIAL FOR RUBBER ARTICLES REICHHOLD INC (US) 2003-01-08 EP disclosed
EP-1002011-A1 ELASTOMERIC MATERIAL FOR RUBBER ARTICLES Reichhold Inc. (US) 2000-05-24 EP disclosed
WO-1999006481-A1 ELASTOMERIC MATERIAL FOR RUBBER ARTICLES REICHHOLD, INC. (US) 1999-02-11 WO disclosed
US-4141871-A WATER IMMISCIBLE BUTANOL CELANESE POLYMER SPECIALTIES COMPANY (US) 1979-02-27 US disclosed
US-4059550-A Aqueous dispersions of polyhydroxy polyether resins and aminoplast resins CELANESE POLYMER SPECIALTIES COMPANY (US) 1977-11-22 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-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885

“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.