SCHEMBL1865320

SCHEMBL1865320

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 3/20 0.49
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
USP30 Q70CQ3 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 2/20 0.45
GPR119 Q8TDV5 1/20 0.44
HPGDS O60760 1/20 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
SCHEMBL12991579 0.88 ALDH1A1 (0.51) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31358021 0.87 ALDH1A1 (0.53) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5593571 0.87 RAB9A (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1861675 0.87 RAB9A (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5428395 0.86 MEN1 (0.56) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1865498 0.84 POLB (0.53) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3884437 0.84 POLB (0.53) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL969044 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL969043 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3325048 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A

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 15 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
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-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 HSD11B1 2182/4885ALDH1A1 587/4885MAPT 1603/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 HSD11B1 426/4885ALDH1A1 1084/4885MAPT 2234/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE HSD11B1 2182/4885ALDH1A1 587/4885MAPT 1603/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP HSD11B1 2289/4885ALDH1A1 2168/4885MAPT 1335/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 HSD11B1 314/4885ALDH1A1 1060/4885MAPT 1950/4885

“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.