SCHEMBL2326044

SCHEMBL2326044

CC(C)(C)OC(=O)N1CCCC([C@@H](OCCO)c2cccc(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.57
CYP3A4 P08684 3/20 0.53
ANO1 Q5XXA6 1/20 0.44
USP30 Q70CQ3 2/20 0.44
STS P08842 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2326055 1.00 REN (0.57) RENCYP3A4ANO1USP30STS
SCHEMBL2326048 1.00 REN (0.57) RENCYP3A4ANO1USP30STS
SCHEMBL12090947 0.95 REN (0.54) RENCYP3A4ANO1USP30STS
SCHEMBL968755 0.93 REN (0.54) RENCYP3A4ANO1USP30STS
SCHEMBL9914199 0.93 REN (0.54) RENCYP3A4ANO1USP30STS
SCHEMBL968756 0.93 REN (0.54) RENCYP3A4ANO1USP30STS
SCHEMBL968753 0.93 REN (0.54) RENCYP3A4ANO1USP30STS
SCHEMBL2325014 0.90 REN (0.53) RENCYP3A4USP30
SCHEMBL2325002 0.90 REN (0.53) RENCYP3A4USP30
SCHEMBL2325007 0.90 REN (0.53) RENCYP3A4USP30

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 14 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
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 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
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
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 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 2510/4885ANO1 2902/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP REN 4/4885CYP3A4 2584/4885ANO1 2839/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885CYP3A4 1899/4885ANO1 3054/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD REN 4/4885CYP3A4 2590/4885ANO1 2757/4885

“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.