SCHEMBL4826795

SCHEMBL4826795

NC1CCCN(c2ccc(Cl)nc2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.55
CHRNA4 P43681 6/20 0.55
CHRNB4 P30926 6/20 0.54
CHRNA3 P32297 6/20 0.54
AKT1 P31749 1/20 0.45
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
DOT1L Q8TEK3 1/20 0.44
PBK Q96KB5 1/20 0.43

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
SCHEMBL4828961 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL4827617 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL1506494 0.90 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL23497746 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PIM1
Trifluoroacetic Acid SCHEMBL29990705 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PIM1
Trifluoroacetic Acid SCHEMBL29744405 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PIM1
Trifluoroacetic Acid SCHEMBL23498067 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PIM1
SCHEMBL4827560 0.85 CHRNB4 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4826229 0.83 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3PIM1
SCHEMBL4826782 0.83 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US claimed
CN-1192028-C Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2005-03-09 CN 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
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN 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
CN-1636990-A Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LAB (US) 2005-07-13 CN disclosed
CN-1192028-C Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2005-03-09 CN 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
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN 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.