SCHEMBL5094697

SCHEMBL5094697

NC1CCCCN1c1cncc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
BACE1 P56817 2/20 0.34
JAK2 O60674 3/20 0.33
NTRK1 P04629 3/20 0.33
ADAMTS5 Q9UNA0 2/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
RIPK1 Q13546 1/20 0.32
GRM5 P41594 1/20 0.32
EPAS1 Q99814 1/20 0.32
CDK9 P50750 1/20 0.31

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
SCHEMBL4826081 0.98 CYP11B2 (0.36) CYP11B2BACE1JAK2NTRK1ADAMTS5
SCHEMBL4825581 0.95 CYP11B2 (0.38) CYP11B2JAK2NTRK1ADAMTS5CHRNB4
SCHEMBL5090926 0.79 CHRNB2 (0.50) CYP11B2BACE1JAK2CHRNB4CHRNA3
SCHEMBL5094686 0.79 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5097218 0.78 CYP11B2 (0.35) CYP11B2BACE1JAK2NTRK1ADAMTS5
SCHEMBL5090941 0.78 CHRNB2 (0.49) CYP11B2CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4820780 0.78 CHRNB2 (0.49) BACE1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4825466 0.78 CHRNB2 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4822092 0.77 HRH4 (0.34) CYP11B2BACE1JAK2NTRK1ADAMTS5
SCHEMBL4819744 0.77 CHRNB2 (0.48) CYP11B2CHRNB4CHRNA3CHRNB2CHRNA4

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 CYP11B2 335/4885BACE1 467/4885JAK2 1747/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CYP11B2 335/4885BACE1 467/4885JAK2 1747/4885

“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.