SCHEMBL19975428

SCHEMBL19975428

CC(C)CNC(=O)C(O)C(C)NCC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.42
EPHX1 P07099 1/20 0.34
PIK3CD O00329 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR2 P41597 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK14 Q16539 1/20 0.32
ASAH1 Q13510 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
HTR4 Q13639 1/20 0.30
CPB2 Q96IY4 1/20 0.30
BACE1 P56817 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL19974848 0.90 EPHX1 (0.38) CTSDEPHX1CYP2D6CYP2C19MAPK14
SCHEMBL21176215 0.89 TDP1 (0.36) CTSDPIK3CDCYP2D6CYP2C19CCR2
SCHEMBL19974829 0.85 TDP1 (0.40) CTSDEPHX1CYP2D6MMP1MMP8
SCHEMBL21183504 0.76 NPC1 (0.33) CTSDPIK3CDNPC1RAB9AANPEP
SCHEMBL19975367 0.75 NPC1 (0.34) CYP2D6NPC1RAB9AHTR4BACE1
SCHEMBL19975126 0.75 ALDH1A1 (0.47) CNR2
SCHEMBL19975153 0.74 EPHX1 (0.45) EPHX1CYP2D6NPC1RAB9AMMP1
SCHEMBL19975350 0.74 EPHX1 (0.45) EPHX1CYP2D6NPC1RAB9AMMP1
SCHEMBL19975332 0.72 CTSD (0.38) CTSDEPHX1PIK3CDCNR2
SCHEMBL7287796 0.71 SIGMAR1 (0.37) PIK3CDCCR2NPC1RAB9AHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C CTSD 922/4885EPHX1 372/4885PIK3CD 1843/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CTSD 1046/4885EPHX1 449/4885PIK3CD 1295/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CTSD 922/4885EPHX1 372/4885PIK3CD 1843/4885

“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.