SCHEMBL3904231

SCHEMBL3904231

CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2cnccc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
KDM4C Q9H3R0 1/20 0.43
PDE4B Q07343 4/20 0.43
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
GPR6 P46095 2/20 0.40
TBK1 Q9UHD2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL3902372 0.93 PDE4B (0.44) TOP2AGPR119PDE4BTP53MAPT
SCHEMBL3901505 0.90 MAPT (0.48) TOP2AGPR119PDE4BTP53MAPT
SCHEMBL3151577 0.89 TOP2A (0.47) TOP2AGPR119PDE4BTP53
SCHEMBL3903857 0.88 TBK1 (0.40) TOP2AGPR119PDE4BTP53MAPT
SCHEMBL3905620 0.88 F10 (0.43) TOP2APDE4BTP53MAPTPDE4A
SCHEMBL3907007 0.87 TOP2A (0.46) TOP2AGPR119PDE4BTP53MAPT
SCHEMBL3904310 0.87 TOP2A (0.40) TOP2AGPR119PDE4BTP53MAPT
SCHEMBL3903799 0.87 TXK (0.39) TOP2AGPR119PDE4BTP53MAPT
SCHEMBL3157312 0.84 PDE4B (0.52) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL3907641 0.83 TOP2A (0.45) TOP2AGPR119PDE4BTP53MAPT

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-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
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US 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
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-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 (1 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 TOP2A 4355/4885GPR119 1378/4885KDM4C 2278/4885

“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.