SCHEMBL4820786

SCHEMBL4820786

NC1CCCCCN1c1cnc(Cl)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CHRNB2 P17787 8/20 0.47
CHRNA4 P43681 8/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.33
PKM P14618 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CHRNB4 P30926 5/20 0.33
CHRNA3 P32297 5/20 0.33

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
SCHEMBL5090945 0.99 CHRNB2 (0.48) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL4825505 0.94 CHRNB2 (0.49) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL4821444 0.86 CHRNB2 (0.45) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL5090880 0.84 CHRNB2 (0.46) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL4819766 0.83 CHRNB2 (0.46) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL4820397 0.83 CHRNB2 (0.47) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL4820395 0.83 CHRNB2 (0.35) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL5090909 0.82 CHRNB2 (0.48) ALDH1A1CHRNB2CHRNA4HTTCHRNB4
SCHEMBL4823277 0.82 CHRNB2 (0.36) ALDH1A1GAAMAPTCHRNB2CHRNA4
SCHEMBL5096821 0.82 CHRNB2 (0.47) ALDH1A1GAAMAPTCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 US claimed
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-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 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

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 ALDH1A1 3068/4885GAA 4565/4885MAPT 1050/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B ALDH1A1 3068/4885GAA 4565/4885MAPT 1050/4885

“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.