SCHEMBL12631908

SCHEMBL12631908

CCCO[C@@H](c1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.54
GPR119 Q8TDV5 5/20 0.42
USP30 Q70CQ3 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
STS P08842 1/20 0.39
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12631911 1.00 REN (0.54) RENGPR119USP30ALOX5APFEN1
SCHEMBL1863701 0.95 REN (0.54) RENGPR119USP30ALOX5APFEN1
SCHEMBL1863705 0.95 REN (0.54) RENGPR119USP30ALOX5APFEN1
SCHEMBL1863699 0.95 REN (0.54) RENGPR119USP30ALOX5APFEN1
SCHEMBL1861478 0.92 REN (0.53) RENGPR119USP30ALOX5APFEN1
SCHEMBL1862351 0.92 REN (0.53) RENGPR119USP30ALOX5APFEN1
SCHEMBL1861480 0.92 REN (0.53) RENGPR119USP30ALOX5APFEN1
SCHEMBL1862352 0.92 REN (0.53) RENGPR119USP30ALOX5APFEN1
SCHEMBL1861476 0.92 REN (0.53) RENGPR119USP30ALOX5APFEN1
SCHEMBL1865929 0.92 REN (0.53) RENGPR119USP30ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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 (1 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE REN 298/4885GPR119 1542/4885USP30 1059/4885

“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.