SCHEMBL1567030

SCHEMBL1567030

C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)CCCCCl

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
NPY5R Q15761 12/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AOC3 Q16853 1/20 0.46
NPY2R P49146 2/20 0.45
ASAH1 Q13510 1/20 0.42
ACER2 Q5QJU3 1/20 0.42

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
SCHEMBL2021811 1.00 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL2021812 1.00 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL1567582 1.00 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL1567028 1.00 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL2024326 1.00 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL8730273 0.87 GAA (0.65) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL13569351 0.86 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL13570111 0.86 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL30855599 0.86 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL13328801 0.86 GAA (0.63) GAANPY5RALDH1A1KDM4EAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
EP-2074108-B3 RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
EP-2581366-A1 Renin Inhibitors Vitae Pharmaceuticals, Inc. (US) 2013-04-17 EP disclosed
EP-2074108-B1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-8198453-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-06-12 US disclosed
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
EP-2307396-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF Vitae Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100311989-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2009154766-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF VITAE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
WO-2009038715-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2009-03-26 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-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP GAA 68/4885NPY5R 830/4885ALDH1A1 711/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP GAA 36/4885NPY5R 2086/4885ALDH1A1 2175/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 GAA 157/4885NPY5R 624/4885ALDH1A1 2320/4885
US-20100311989-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS REN, ACE, AGTR1 GAA 726/4885NPY5R 662/4885ALDH1A1 484/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP GAA 63/4885NPY5R 416/4885ALDH1A1 1307/4885

“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.