SCHEMBL2324982

SCHEMBL2324982

CC(C)(C)OC(=O)N1CCCC([C@@H](OCC#N)c2ccc(F)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV3 Q8NET8 2/20 0.40
REN P00797 2/20 0.40
GPR119 Q8TDV5 4/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 2/20 0.38
USP30 Q70CQ3 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL2324991 1.00 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ATRPV3
SCHEMBL2324986 1.00 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ATRPV3
SCHEMBL2326773 0.88 REN (0.49) ALDH1A1MAPTMEN1KMT2AREN
SCHEMBL2326128 0.88 REN (0.44) ALDH1A1MAPTTRPV3RENGPR119
SCHEMBL2326131 0.88 REN (0.44) ALDH1A1MAPTTRPV3RENGPR119
SCHEMBL2326778 0.88 REN (0.49) ALDH1A1MAPTMEN1KMT2AREN
SCHEMBL2326129 0.88 REN (0.44) ALDH1A1MAPTTRPV3RENGPR119
SCHEMBL2326782 0.88 REN (0.49) ALDH1A1MAPTMEN1KMT2AREN
SCHEMBL2328561 0.87 REN (0.39) MAPTRENMAPK1DPP4USP30
SCHEMBL2328555 0.87 REN (0.39) MAPTRENMAPK1DPP4USP30

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 5 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
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

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 ALDH1A1 1416/4885MAPT 470/4885MEN1 2467/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD ALDH1A1 693/4885MAPT 1385/4885MEN1 3790/4885

“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.