SCHEMBL3158355

SCHEMBL3158355

COC(=O)c1ccc(N(C)C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.49
PDE4D Q08499 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
GPR119 Q8TDV5 5/20 0.48
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MMP13 P45452 1/20 0.44
STS P08842 1/20 0.44
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
EZH2 Q15910 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
TGFBR1 P36897 1/20 0.44
TOP2A P11388 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 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
SCHEMBL3163770 0.89 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5201546 0.88 GPR119 (0.48) PDE4BPDE4DPDE4APDE4CGPR119
Potassium Ion SCHEMBL5201540 0.88 GPR119 (0.48) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3151620 0.87 STS (0.55) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3903282 0.87 GPR6 (0.44) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3157416 0.86 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL14612781 0.85 GPR6 (0.39) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3166432 0.85 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3156092 0.85 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3160194 0.85 GPR119 (0.52) PDE4BPDE4DPDE4APDE4CGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 WO disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI PDE4B 1956/4885PDE4D 3032/4885PDE4A 2887/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 PDE4B 2014/4885PDE4D 3195/4885PDE4A 2492/4885

“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.