SCHEMBL1868095

SCHEMBL1868095

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2ccccc2Oc2cccc(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL4747066 1.00 GAA (0.47) GAARAB9APOLBTSHRALDH1A1
SCHEMBL1868663 0.89 TSHR (0.57) GAARAB9APOLBTSHRALDH1A1
SCHEMBL3881644 0.89 TSHR (0.57) GAARAB9APOLBTSHRALDH1A1
SCHEMBL3629662 0.85 POLB (0.53) GAARAB9APOLBTSHRALDH1A1
SCHEMBL1860261 0.82 POLB (0.52) GAARAB9APOLBTSHRALDH1A1
SCHEMBL1860263 0.82 POLB (0.52) GAARAB9APOLBTSHRALDH1A1
SCHEMBL969182 0.81 ALDH1A1 (0.59) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL5475032 0.81 ALDH1A1 (0.59) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL969184 0.81 ALDH1A1 (0.59) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL1861675 0.81 RAB9A (0.53) GAARAB9APOLBALDH1A1MAPT

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 32 patents — showing the first 20. 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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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
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 (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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 GAA 35/4885RAB9A 236/4885POLB 1716/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE GAA 36/4885RAB9A 3108/4885POLB 1750/4885

“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.