SCHEMBL3903282

SCHEMBL3903282

COC(=O)c1cscc1NC(=O)c1ccc(N(C)C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.44
TOP2A P11388 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
PDE4B Q07343 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
TP53 P04637 4/20 0.39
KDM1A O60341 1/20 0.39
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL13902783 0.88 TOP2A (0.42) GPR6TOP2AGPR119PDE4BPDE4A
SCHEMBL3158355 0.87 PDE4B (0.49) TOP2AGPR119PDE4BPDE4APDE4C
SCHEMBL8286257 0.86 PDE4B (0.43) TOP2AGPR119PDE4BPDE4APDE4C
SCHEMBL3903288 0.83 GPR6 (0.41) GPR6MAPT
SCHEMBL3163770 0.79 GPR119 (0.49) TOP2AGPR119PDE4BPDE4APDE4C
SCHEMBL3907007 0.79 TOP2A (0.46) TOP2AGPR119PDE4BPDE4APDE4C
SCHEMBL5201546 0.78 GPR119 (0.48) TOP2AGPR119PDE4BPDE4APDE4C
SCHEMBL3160757 0.78 NR3C1 (0.48) GPR6TOP2ATP53MAPTTHRB
SCHEMBL3152154 0.78 F10 (0.51)
Potassium Ion SCHEMBL5201540 0.78 GPR119 (0.48) TOP2AGPR119PDE4BPDE4APDE4C

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 GPR6 2624/4885TOP2A 4355/4885GPR119 1378/4885

“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.