SCHEMBL1860829

SCHEMBL1860829

CN(CC(N)C(Cc1ccccc1)C1CCC(F)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
DPP4 P27487 6/20 0.37
DPP9 Q86TI2 5/20 0.37
DPP7 Q9UHL4 4/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP8 Q6V1X1 4/20 0.35
FAP Q12884 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL1861190 0.89 L3MBTL1 (0.46) HPGDDPP4DPP9DPP7ALPI
SCHEMBL1861663 0.77 KLK5 (0.45)
SCHEMBL1861665 0.77 KLK5 (0.45)
SCHEMBL3508823 0.72 HPGD (0.57) HPGDALPIPKMPTGS1XIAP
SCHEMBL1858130 0.71 EPHX1 (0.42) HPGDL3MBTL1TDP1ANPEP
SCHEMBL3507237 0.67 HPGD (0.58) HPGDALPIPKMPTGS1XIAP
SCHEMBL11998013 0.66 SLC15A1 (0.39) DPP4DPP9DPP7ALPIPKM
SCHEMBL3597709 0.66 ANPEP (0.41) ANPEP
SCHEMBL3604142 0.66 ANPEP (0.41) ANPEP
SCHEMBL17337673 0.63 HPGD (0.56) HPGDALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 712/4885DPP4 14/4885DPP9 19/4885

“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.