SCHEMBL3196231

SCHEMBL3196231

COc1ccc(C(=O)O)c(OCCN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.50
TLR9 Q9NR96 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
DRD2 P14416 6/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
KCNA5 P22460 1/20 0.47
HRH2 P25021 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GPR4 P46093 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL3195004 0.91 ALDH1A1 (0.50) DRD3TLR9TLR7DRD2ALDH1A1
SCHEMBL21712258 0.85 RXFP1 (0.51) DRD3DRD2KCNA5RXFP1GPR4
SCHEMBL19479118 0.84 DRD3 (0.70) DRD3DRD2ALDH1A1KCNA5HRH2
SCHEMBL31268813 0.79 DRD3 (0.53) DRD3DRD2ALDH1A1GPR4EPHX2
SCHEMBL21724503 0.79 RXFP1 (0.51) DRD3DRD2ALDH1A1HTR2BRXFP1
SCHEMBL30943587 0.79 DRD2 (0.48) DRD3DRD2RXFP1GPR4
SCHEMBL3165435 0.78 PDE4B (0.54) ALDH1A1EPHX2
SCHEMBL18135536 0.78 KCNA5 (0.64) DRD3DRD2ALDH1A1KCNA5EPHX2
SCHEMBL31583944 0.78 TLR9 (0.52) TLR9TLR7ALDH1A1HRH2EPHX2
SCHEMBL3314377 0.78 DRD3 (0.52) DRD3DRD2ALDH1A1HRH2GPR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 DRD3 3262/4885TLR9 4709/4885TLR7 4546/4885

“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.