SCHEMBL4827630

SCHEMBL4827630

CC(C)(C)OC(=O)NC1CCN(c2cccnc2)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.60
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
PDE10A Q9Y233 1/20 0.50
KDM4D Q6B0I6 5/20 0.49
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
CTSK P43235 2/20 0.48
NPY5R Q15761 4/20 0.48
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
SUV39H2 Q9H5I1 2/20 0.47

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
SCHEMBL28856276 1.00 GPR119 (0.60) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL28200582 1.00 GPR119 (0.60) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL4954837 0.94 GPR119 (0.65) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL29576568 0.93 GPR119 (0.55) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL22774285 0.93 GPR119 (0.55) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL22775604 0.93 GPR119 (0.55) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL29576692 0.93 GPR119 (0.55) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL21847896 0.92 GPR119 (0.55) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL7487448 0.91 GPR119 (0.52) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL23500781 0.87 CKS1B (0.56) GPR119CKS1BSKP1SKP2PDE10A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339355-B Novel CYP17 inhibitor/antiandrogen 奥赖恩公司 2018-02-27 CN disclosed
CN-105408332-B Substituted triazolopyridines 拜耳制药股份公司 2017-05-10 CN disclosed
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-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
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN 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 GPR119 468/4885CKS1B 1197/4885SKP1 1073/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B GPR119 468/4885CKS1B 1197/4885SKP1 1073/4885

“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.