Sugi Predict

Sugi Predict / Compounds / SCHEMBL9914192

SCHEMBL9914192

SCHEMBL9914192

CCOC(=O)COC(c1ccccc1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.46
▸ USP30 Q70CQ3 2/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACKR3 P25106 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL2332899 0.89 REN (0.49) RENUSP30HPGDGPR119ALDH1A1
SCHEMBL969064 0.89 REN (0.49) RENUSP30SMN1; SMN2LMNA
SCHEMBL9914198 0.89 REN (0.49) RENUSP30SMN1; SMN2LMNA
SCHEMBL2332896 0.89 REN (0.49) RENUSP30HPGDGPR119ALDH1A1
SCHEMBL969063 0.89 REN (0.49) RENUSP30SMN1; SMN2LMNA
SCHEMBL969066 0.89 REN (0.49) RENUSP30SMN1; SMN2LMNA
SCHEMBL2332892 0.89 REN (0.49) RENUSP30HPGDGPR119ALDH1A1
SCHEMBL3611251 0.89 REN (0.49) RENUSP30SMN1; SMN2LMNA
SCHEMBL9914193 0.87 USP30 (0.46) RENUSP30GPR119ALDH1A1ACKR3
SCHEMBL12090925 0.86 REN (0.50) RENUSP30GPR119ALDH1A1ACKR3

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 180/4885USP30 553/4885HPGD 694/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP REN 4/4885USP30 528/4885HPGD 539/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885USP30 899/4885HPGD 612/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD REN 4/4885USP30 458/4885HPGD 439/4885

“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.