SCHEMBL4344066

SCHEMBL4344066

COc1ccc(CN2C(=O)C(CC(=O)OC(C)(C)C)Cc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CCKBR P32239 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ CACNA1S Q13698 1/20 0.42
▸ ADK P55263 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
SCHEMBL4328435 0.91 CCKBR (0.49) DRD2DRD4L3MBTL1CCKBR
SCHEMBL7417336 0.81 NPY1R (0.51) DRD2DRD4L3MBTL1ALDH1A1CCKBR
SCHEMBL14941450 0.81 L3MBTL1 (0.50) DRD2DRD4L3MBTL1ALDH1A1MEN1
SCHEMBL30100736 0.81 L3MBTL1 (0.50) DRD2DRD4L3MBTL1ALDH1A1MEN1
SCHEMBL4339326 0.80 CCKBR (0.52) CCKBR
SCHEMBL16163178 0.80 L3MBTL1 (0.49) DRD2DRD4L3MBTL1ALDH1A1MEN1
SCHEMBL30100771 0.80 L3MBTL1 (0.49) DRD2DRD4L3MBTL1ALDH1A1MEN1
SCHEMBL7071357 0.78 XIAP (0.55) ALDH1A1MEN1KMT2A
SCHEMBL30100700 0.78 L3MBTL1 (0.54) DRD2DRD4L3MBTL1ALDH1A1MEN1
SCHEMBL5668583 0.78 MEN1 (0.55) DRD2DRD4L3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 — — US disclosed
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 — — EP disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 — — US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 — — US disclosed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 — — EP disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 — — US disclosed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 — — 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 (2 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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 DRD2 4442/4885DRD4 4339/4885L3MBTL1 2968/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 DRD2 4308/4885DRD4 4335/4885L3MBTL1 2695/4885

“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.

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