SCHEMBL4825543

SCHEMBL4825543

CCOc1cc(N2CCCCCC2NC)cnc1Br

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.49
CHRNA4 P43681 11/20 0.49
CHRNB4 P30926 7/20 0.37
CHRNA3 P32297 7/20 0.37
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
OPRK1 P41145 2/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
TSHR P16473 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
SCHEMBL5090929 0.99 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL4822792 0.95 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4823284 0.83 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL5090946 0.82 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL4827629 0.81 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL4828701 0.81 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3OPRK1
SCHEMBL5094538 0.79 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5096818 0.79 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL4824073 0.78 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL4823818 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CDK4

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 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.