SCHEMBL2325733

SCHEMBL2325733

CC(C)(C)OC(=O)N1CCCC(C(OCCN)c2cc(F)cc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.51
DPP4 P27487 1/20 0.41
TRPV3 Q8NET8 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP3A4 P08684 2/20 0.39

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
SCHEMBL2325725 1.00 REN (0.51) RENDPP4TRPV3GPR119SCN9A
SCHEMBL2325731 1.00 REN (0.51) RENDPP4TRPV3GPR119SCN9A
SCHEMBL2326131 0.88 REN (0.44) RENDPP4TRPV3GPR119SCN9A
SCHEMBL2326128 0.88 REN (0.44) RENDPP4TRPV3GPR119SCN9A
SCHEMBL2326129 0.88 REN (0.44) RENDPP4TRPV3GPR119SCN9A
SCHEMBL2330008 0.87 REN (0.67) RENCYP3A4
SCHEMBL2330017 0.87 REN (0.67) RENCYP3A4
SCHEMBL2330013 0.87 REN (0.67) RENCYP3A4
SCHEMBL4981525 0.87 REN (0.51) RENCYP3A4
SCHEMBL4981529 0.87 REN (0.51) 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 12 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

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 180/4885DPP4 22/4885TRPV3 2724/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP REN 4/4885DPP4 14/4885TRPV3 1435/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885DPP4 24/4885TRPV3 2994/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD REN 4/4885DPP4 13/4885TRPV3 1501/4885

“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.