SCHEMBL4824769

SCHEMBL4824769

CNC1CCCCCN1c1cnc(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL5090913 0.99 ALDH1A1 (0.47) ALDH1A1HTTGAAMAPTCHRNB2
SCHEMBL4827799 0.95 CHRNB2 (0.46) ALDH1A1HTTGAAMAPTCHRNB2
SCHEMBL4825392 0.87 CHRNB2 (0.42) ALDH1A1HTTGAAMAPTCHRNB2
SCHEMBL4821492 0.86 CHRNB2 (0.45) ALDH1A1HTTMAPTCHRNB2CHRNA4
SCHEMBL5094763 0.85 CHRNB2 (0.43) ALDH1A1HTTGAAMAPTCHRNB2
SCHEMBL4827629 0.85 CHRNB2 (0.43) ALDH1A1HTTGAAMAPTCHRNB2
SCHEMBL4826248 0.85 CHRNB2 (0.34) ALDH1A1HTTGAAMAPTCHRNB2
SCHEMBL4828953 0.84 CHRNB2 (0.46) ALDH1A1HTTCHRNB2CHRNA4HRH4
SCHEMBL5094535 0.83 CHRNB2 (0.35) ALDH1A1HTTCHRNB2CHRNA4KMT2A
Hydrochloric Acid SCHEMBL5103132 0.83 CHRNB2 (0.45) ALDH1A1HTTCHRNB2CHRNA4HRH4

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 8 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
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 3068/4885HTT 2273/4885GAA 4565/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B ALDH1A1 3068/4885HTT 2273/4885GAA 4565/4885

“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.