SCHEMBL4822154

SCHEMBL4822154

C#Cc1cncc(N2CCCC2NC)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.48
CHRNA3 P32297 11/20 0.48
CHRNA4 P43681 11/20 0.48
CHRNB4 P30926 10/20 0.48
CHRNA1 P02708 3/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRND Q07001 1/20 0.48
CHRNA2 Q15822 1/20 0.48
CYP2A6 P11509 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
SCHEMBL5090954 0.96 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1
SCHEMBL4819762 0.95 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1
SCHEMBL4827580 0.86 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1
SCHEMBL5094561 0.83 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL30811773 0.82 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1
SCHEMBL4819747 0.82 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL4821252 0.80 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1
SCHEMBL4820687 0.79 JAK2 (0.36)
SCHEMBL4828087 0.77 HRH4 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1
SCHEMBL4830391 0.77 HRH4 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA1

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 9 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
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 claimed
EP-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 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-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP 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 31/4885CHRNA3 5/4885CHRNA4 19/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA3 5/4885CHRNA4 19/4885

“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.