SCHEMBL969184

SCHEMBL969184

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccc(F)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
USP30 Q70CQ3 1/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5475032 1.00 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL969182 1.00 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL2146383 0.93 HSD11B1 (0.54) ALDH1A1MEN1KMT2AUSP30
SCHEMBL1867513 0.89 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL4487414 0.88 MEN1 (0.47) ALDH1A1MEN1KMT2AUSP30LMNA
SCHEMBL2328924 0.88 USP30 (0.53) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL2328921 0.88 USP30 (0.53) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL17913759 0.87 LMNA (0.62) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL971485 0.87 KDM2B (0.60) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL971486 0.87 KDM2B (0.60) ALDH1A1MEN1KMT2AUSP30MAPT

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 26 patents — showing the first 20. 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-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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 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-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 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-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-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 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
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
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 (5 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 ALDH1A1 1416/4885MEN1 2467/4885KMT2A 2255/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP ALDH1A1 711/4885MEN1 3669/4885KMT2A 2534/4885
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 ALDH1A1 784/4885MEN1 3019/4885KMT2A 1856/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP ALDH1A1 1307/4885MEN1 2144/4885KMT2A 3751/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD ALDH1A1 693/4885MEN1 3790/4885KMT2A 2774/4885

“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.