SCHEMBL5094535

SCHEMBL5094535

CNC1CCCCN1c1cnc(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.35
CHRNA4 P43681 13/20 0.35
CHRNB4 P30926 10/20 0.35
CHRNA3 P32297 10/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
METAP2 P50579 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL4826248 0.99 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4819809 0.96 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5094763 0.86 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4828953 0.85 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4825392 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5094538 0.84 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
Hydrochloric Acid SCHEMBL5103132 0.84 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4821492 0.84 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL5090913 0.84 ALDH1A1 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4824769 0.83 ALDH1A1 (0.46) 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 6 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
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

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.