Sugi Predict

Sugi Predict / Compounds / SCHEMBL9914202

SCHEMBL9914202

SCHEMBL9914202

[C-]#[N+]CO[C@@H](c1cc(F)cc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.47
▸ TRPV3 Q8NET8 2/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ STS P08842 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL9914196 0.87 REN (0.49) RENTRPV3ALDH1A1MAPTNPC1
SCHEMBL2325731 0.87 REN (0.51) RENTRPV3GPR119SCN9ADPP4
SCHEMBL2325725 0.87 REN (0.51) RENTRPV3GPR119SCN9ADPP4
SCHEMBL2325733 0.87 REN (0.51) RENTRPV3GPR119SCN9ADPP4
SCHEMBL2328777 0.86 REN (0.47) RENTRPV3GPR119SCN9AALDH1A1
SCHEMBL2328778 0.86 REN (0.47) RENTRPV3GPR119SCN9AALDH1A1
SCHEMBL2328776 0.86 REN (0.47) RENTRPV3GPR119SCN9AALDH1A1
SCHEMBL2330013 0.83 REN (0.67) RENCYP3A4
SCHEMBL2330008 0.83 REN (0.67) RENCYP3A4
SCHEMBL2330017 0.83 REN (0.67) 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-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
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
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 180/4885TRPV3 2724/4885GPR119 3138/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP REN 4/4885TRPV3 1435/4885GPR119 2084/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885TRPV3 2994/4885GPR119 1394/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD REN 4/4885TRPV3 1501/4885GPR119 1912/4885

“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.