SCHEMBL973594

SCHEMBL973594

NC(=O)CO[C@@H](c1cccc(Cl)c1)C1CCCN(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.50
CYP3A4 P08684 3/20 0.47
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL973596 1.00 REN (0.50) RENCYP3A4RAB9ADPP4DPP7
SCHEMBL970985 0.88 REN (0.56) RENCYP3A4
SCHEMBL970983 0.88 REN (0.56) RENCYP3A4
SCHEMBL4973080 0.88 REN (0.57) RENCYP3A4
SCHEMBL4973087 0.88 REN (0.57) RENCYP3A4
SCHEMBL971156 0.87 REN (0.49) RENCYP3A4
SCHEMBL971155 0.87 REN (0.49) RENCYP3A4
SCHEMBL971157 0.87 REN (0.49) RENCYP3A4
SCHEMBL9914197 0.87 REN (0.49) RENCYP3A4
SCHEMBL971027 0.86 REN (0.51) RENCYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 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 (4 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 REN 180/4885CYP3A4 2510/4885RAB9A 2228/4885
US-20100184805-A1 RENIN INHIBITORS ACE, REN, ACE2 REN 2/4885CYP3A4 1357/4885RAB9A 201/4885
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 REN 13/4885CYP3A4 1656/4885RAB9A 2893/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP REN 1/4885CYP3A4 1317/4885RAB9A 178/4885

“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.