SCHEMBL2321941

SCHEMBL2321941

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 1/20 0.50
STS P08842 4/20 0.46
HPGD P15428 1/20 0.43
USP30 Q70CQ3 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL1857032 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSTS
SCHEMBL1867513 0.92 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3616198 0.88 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1867710 0.88 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2326004 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL2326008 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL971486 0.83 KDM2B (0.60) MEN1KMT2AALDH1A1MAPTSTS
SCHEMBL5475032 0.83 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL971485 0.83 KDM2B (0.60) MEN1KMT2AALDH1A1MAPTSTS
SCHEMBL969184 0.83 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MAPTUSP30

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 14 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
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

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 MEN1 2467/4885KMT2A 2255/4885ALDH1A1 1416/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP MEN1 3669/4885KMT2A 2534/4885ALDH1A1 711/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP MEN1 2144/4885KMT2A 3751/4885ALDH1A1 1307/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD MEN1 3790/4885KMT2A 2774/4885ALDH1A1 693/4885

“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.