SCHEMBL239933

SCHEMBL239933

CC(C)(C)OC(=O)NC1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.63
CKS1B P61024 1/20 0.58
SKP1 P63208 1/20 0.58
SKP2 Q13309 1/20 0.58
NAMPT P43490 1/20 0.49
LMNA P02545 1/20 0.48
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
USP30 Q70CQ3 1/20 0.45
KCNA3 P22001 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL649039 0.93 CKS1B (0.65) GPR119CKS1BSKP1SKP2NAMPT
SCHEMBL1401967 0.87 GPR119 (0.58) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL1401964 0.87 GPR119 (0.58) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL3884233 0.83 DRD2 (0.55) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL30599874 0.82 PDE10A (0.57) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL21227871 0.82 PDE10A (0.57) GPR119CKS1BSKP1SKP2PDE10A
SCHEMBL4377986 0.81 GPR119 (0.55) GPR119CKS1BSKP1SKP2LMNA
Hydrochloric Acid SCHEMBL240066 0.81 KDM4E (0.51) GPR119LMNAALDH1A1KDM4EUSP2
SCHEMBL18901560 0.81 GPR119 (0.54) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL13633563 0.80 LMNA (0.52) GPR119LMNAALDH1A1KDM4ETSHR

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 GPR119 1142/4885CKS1B 2652/4885SKP1 2054/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GPR119 1142/4885CKS1B 2652/4885SKP1 2054/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GPR119 1142/4885CKS1B 2652/4885SKP1 2054/4885

“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.