SCHEMBL1863979

SCHEMBL1863979

CCCC(=O)NCCCC(O)(c1cccc(Cl)c1)C1CCCNC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.57
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 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
SCHEMBL27709552 1.00 REN (0.57) RENEPHX2L3MBTL1SCN5ASCN9A
SCHEMBL1863977 1.00 REN (0.57) RENEPHX2L3MBTL1SCN5ASCN9A
SCHEMBL27689840 0.93 REN (0.56) REN
SCHEMBL1862226 0.93 REN (0.56) REN
SCHEMBL1862228 0.93 REN (0.56) REN
SCHEMBL9996394 0.89 REN (0.47) REN
SCHEMBL9996391 0.89 REN (0.47) REN
SCHEMBL1860879 0.89 REN (0.55) REN
SCHEMBL27689735 0.89 REN (0.55) REN
SCHEMBL1860876 0.89 REN (0.55) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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 (3 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 REN 298/4885EPHX2 2718/4885L3MBTL1 3595/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE REN 298/4885EPHX2 2718/4885L3MBTL1 3595/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP REN 1/4885EPHX2 3059/4885L3MBTL1 4220/4885

“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.