SCHEMBL3907747

SCHEMBL3907747

CC(C)(C)ON1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2cnccc2C(=O)Nc2ncc(Br)s2)CC1=C=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 10/20 0.34
KDM4C Q9H3R0 1/20 0.33
GSK3B P49841 2/20 0.33
GSK3A P49840 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAP3K7 O43318 1/20 0.31
DHODH Q02127 1/20 0.31
PIM2 Q9P1W9 3/20 0.31
PIM3 Q86V86 1/20 0.31
FLT3 P36888 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3915405 0.87 PIM1 (0.37) GPR6KDM4CMAP3K7PIM2PIM3
SCHEMBL3903799 0.86 TXK (0.39) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL8286962 0.82 ATR (0.39) GPR6GSK3BGSK3APDE4APDE4B
Trifluoroacetic Acid SCHEMBL3904243 0.80 PIM1 (0.37) GPR6KDM4CPDE4APDE4BPDE4C
SCHEMBL3904985 0.77 MAPT (0.42) MAPT
SCHEMBL3905636 0.77 GPR6 (0.41) GPR6GSK3BGSK3APDE4APDE4B
SCHEMBL3903857 0.75 TBK1 (0.40) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL8287702 0.74 PTGDR (0.40) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL3158995 0.73 F10 (0.47)
SCHEMBL3904310 0.72 TOP2A (0.40) GPR6PDE4BPIM2PIM3MAPT

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 4 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-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

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 2624/4885KDM4C 2278/4885GSK3B 634/4885

“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.