SCHEMBL3907007

SCHEMBL3907007

CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2cscc2C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.46
PDE4B Q07343 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
GPR119 Q8TDV5 7/20 0.41
PDE4D Q08499 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
MMP13 P45452 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
SCHEMBL8286257 0.93 PDE4B (0.43) TOP2APDE4BTP53MAPTGPR119
SCHEMBL3151577 0.88 TOP2A (0.47) TOP2APDE4BTP53GPR119
SCHEMBL13902784 0.87 TOP2A (0.40) TOP2APDE4BTP53MAPTGPR119
SCHEMBL3904231 0.87 TOP2A (0.45) TOP2APDE4BTP53MAPTGPR119
SCHEMBL3902402 0.87 F10 (0.45) TOP2ATP53MAPT
SCHEMBL3907641 0.86 TOP2A (0.45) TOP2APDE4BTP53MAPTGPR119
SCHEMBL13902782 0.86 PDE4B (0.41) TOP2APDE4BTP53MAPTGPR119
SCHEMBL3157312 0.86 PDE4B (0.52) PDE4BGPR119PDE4DMEN1USP2
SCHEMBL3163798 0.83 PDE5A (0.51) TOP2APDE4BTP53MAPTGPR119
SCHEMBL3898794 0.82 ALDH1A1 (0.46) TOP2APDE4BMAPTHPGDKMT2A

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 8 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-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 4355/4885PDE4B 1956/4885TP53 3562/4885

“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.