SCHEMBL970903

SCHEMBL970903

CC(C)(C)OC(=O)N1CCCC(C(O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.53
GPR119 Q8TDV5 2/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
HPGDS O60760 2/20 0.47
ACKR3 P25106 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3325441 1.00 USP30 (0.53) USP30GPR119PRMT5WDR77HPGDS
SCHEMBL12631529 1.00 USP30 (0.53) USP30GPR119PRMT5WDR77HPGDS
SCHEMBL3325435 1.00 USP30 (0.53) USP30GPR119PRMT5WDR77HPGDS
SCHEMBL970900 1.00 USP30 (0.53) USP30GPR119PRMT5WDR77HPGDS
SCHEMBL970901 1.00 USP30 (0.53) USP30GPR119PRMT5WDR77HPGDS
SCHEMBL3325433 1.00 USP30 (0.53) USP30GPR119PRMT5WDR77HPGDS
SCHEMBL1155839 0.93 GPR119 (0.54) USP30GPR119PRMT5WDR77ALDH1A1
SCHEMBL1155865 0.93 GPR119 (0.54) USP30GPR119PRMT5WDR77ALDH1A1
SCHEMBL1155836 0.93 GPR119 (0.54) USP30GPR119PRMT5WDR77ALDH1A1
SCHEMBL968159 0.93 GPR119 (0.54) USP30GPR119PRMT5WDR77ALDH1A1

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 17 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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
WO-2010120889-A1 TREATMENT OF METABOLIC SYNDROME WITH CYCLIC AMIDES AMPLA PHARMACEUTICALS INC. (US) 2010-10-21 WO disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 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
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (8 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 USP30 553/4885GPR119 3138/4885PRMT5 340/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE USP30 1059/4885GPR119 1542/4885PRMT5 339/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP USP30 528/4885GPR119 2084/4885PRMT5 150/4885
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 USP30 850/4885GPR119 1427/4885PRMT5 248/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE USP30 1059/4885GPR119 1542/4885PRMT5 339/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP USP30 2954/4885GPR119 1165/4885PRMT5 367/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP USP30 899/4885GPR119 1394/4885PRMT5 369/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD USP30 458/4885GPR119 1912/4885PRMT5 140/4885

“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.