SCHEMBL3901505

SCHEMBL3901505

CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2cnccc2C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
NR3C1 P04150 3/20 0.47
TOP2A P11388 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3905620 0.92 F10 (0.43) MAPTTP53THRBNR3C1TOP2A
SCHEMBL3904231 0.90 TOP2A (0.45) MAPTTP53TOP2AMEN1KMT2A
SCHEMBL3902372 0.89 PDE4B (0.44) MAPTTP53THRBTOP2AGPR119
SCHEMBL3910283 0.86 MEN1 (0.48) MAPTMEN1KMT2AATMSMN1; SMN2
SCHEMBL3903857 0.86 TBK1 (0.40) MAPTTP53TOP2AGPR119PDE4A
SCHEMBL3903799 0.84 TXK (0.39) MAPTTP53TOP2AGPR119PDE4A
SCHEMBL3904310 0.84 TOP2A (0.40) MAPTTP53TOP2AGPR119PDE4B
SCHEMBL3161242 0.83 F10 (0.48) NR3C1
SCHEMBL3160792 0.83 F10 (0.49) NR3C1
SCHEMBL3152555 0.83 F10 (0.53)

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 MAPT 3960/4885TP53 3562/4885THRB 1367/4885

“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.