SCHEMBL2329294

SCHEMBL2329294

Cc1cccc([C@H](OCC#N)C2CCCN(C(=O)O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.47
CYP3A4 P08684 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2329296 1.00 REN (0.47) RENCYP3A4POLB
SCHEMBL2325919 0.88 REN (0.49) RENCYP3A4
SCHEMBL2325916 0.88 REN (0.49) RENCYP3A4
SCHEMBL2325977 0.88 REN (0.46) RENCYP3A4
SCHEMBL2325965 0.88 REN (0.46) RENCYP3A4
SCHEMBL2325970 0.88 REN (0.46) RENCYP3A4
SCHEMBL4973229 0.88 REN (0.39) RENPOLB
SCHEMBL4970990 0.81 REN (0.69) RENCYP3A4
SCHEMBL4970987 0.81 REN (0.69) RENCYP3A4
SCHEMBL2328555 0.80 REN (0.39) RENCYP3A4

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 7 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
EP-2081927-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-08-17 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090318501-A1 Piperidine derivatives as renin inhibitors VITAE PHARMACEUTICALS, INC. 2009-12-24 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 (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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 REN 180/4885CYP3A4 2510/4885POLB 3415/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD REN 4/4885CYP3A4 2590/4885POLB 2060/4885

“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.