SCHEMBL2329504

SCHEMBL2329504

CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(F)c(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV3 Q8NET8 2/20 0.43
USP30 Q70CQ3 3/20 0.42
GPR119 Q8TDV5 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 1/20 0.41
PDE4B Q07343 1/20 0.41
CYP3A4 P08684 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
SCHEMBL2329505 1.00 MAPT (0.43) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL2329496 1.00 MAPT (0.43) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL17074334 0.94 GPR119 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL17074336 0.94 GPR119 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL15260983 0.85 DPP4 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL968957 0.85 USP30 (0.48) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL970137 0.85 USP30 (0.48) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL968955 0.85 USP30 (0.48) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL3605216 0.85 USP30 (0.48) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL15260982 0.85 DPP4 (0.47) MAPTNPC1ALDH1A1MAPK1HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (2 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 MAPT 470/4885NPC1 519/4885ALDH1A1 1416/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD MAPT 1385/4885NPC1 1162/4885ALDH1A1 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.