SCHEMBL4823646

SCHEMBL4823646

CC(C)(C)OC(=O)NC1CN(c2ccc(Cl)nc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
EIF2AK4 Q9P2K8 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
PDE10A Q9Y233 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.43
MAP4K4 O95819 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4828925 0.92 JAK3 (0.52) JAK3BTKCKS1BSKP1SKP2
SCHEMBL29932585 0.90 BTK (0.61) JAK3BTKCKS1BSKP1SKP2
SCHEMBL23497797 0.90 BTK (0.61) JAK3BTKCKS1BSKP1SKP2
SCHEMBL4827769 0.88 CKS1B (0.55) JAK3BTKCKS1BSKP1SKP2
SCHEMBL7487866 0.82 CKS1B (0.50) CHRNB4CHRNA3JAK3BTKCHRNB2
SCHEMBL23498038 0.81 DGAT1 (0.42) JAK3BTKEIF2AK4CKS1BSKP1
SCHEMBL31142639 0.80 EPHX2 (0.44) JAK3BTKCKS1BSKP1SKP2
SCHEMBL31142648 0.80 EPHX2 (0.44) JAK3BTKCKS1BSKP1SKP2
SCHEMBL14428145 0.80 BTK (0.46) JAK3BTKEIF2AK4CKS1BSKP1
SCHEMBL21847896 0.80 GPR119 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CKS1B

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 10 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 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
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO 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 CHRNB4 38/4885CHRNA3 5/4885JAK3 649/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CHRNB4 38/4885CHRNA3 5/4885JAK3 649/4885

“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.