SCHEMBL1864873

SCHEMBL1864873

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2ccccc2O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM2B Q8NHM5 2/20 0.44

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
SCHEMBL1868663 0.83 TSHR (0.57) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL3881644 0.83 TSHR (0.57) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL1860261 0.82 POLB (0.52) POLBALDH1A1MAPK1MAPTLMNA
SCHEMBL1860263 0.82 POLB (0.52) POLBALDH1A1MAPK1MAPTLMNA
SCHEMBL1865320 0.82 HSD11B1 (0.52) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL12991579 0.82 ALDH1A1 (0.51) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL3629662 0.81 POLB (0.53) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL972842 0.81 KDM2B (0.51) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL972843 0.81 KDM2B (0.51) POLBALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL1861675 0.81 RAB9A (0.53) POLBALDH1A1MAPTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 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 (5 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE POLB 1750/4885ALDH1A1 587/4885MAPK1 1192/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 POLB 1384/4885ALDH1A1 1084/4885MAPK1 1494/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE POLB 1750/4885ALDH1A1 587/4885MAPK1 1192/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP POLB 670/4885ALDH1A1 2168/4885MAPK1 1239/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 POLB 1077/4885ALDH1A1 1060/4885MAPK1 2221/4885

“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.