SCHEMBL19975367

SCHEMBL19975367

CC(C)C(NCC1CCOCC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR4 Q13639 7/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.34
BACE1 P56817 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
LIPE Q05469 1/20 0.33
NAMPT P43490 2/20 0.33
GSK3B P49841 1/20 0.32
MEN1 O00255 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL19982903 0.86 CTSS (0.33) NPC1RAB9AHTR4KMT2ABACE1
SCHEMBL21176215 0.86 TDP1 (0.36) NPC1RAB9AHTR4TDP1KMT2A
SCHEMBL19975109 0.81 TDP1 (0.37) TDP1KMT2ACYP3A4CYP2D6LIPE
SCHEMBL21183504 0.81 NPC1 (0.33) NPC1RAB9AHTR4TDP1KMT2A
SCHEMBL19974829 0.80 TDP1 (0.40) TDP1KMT2ACYP2D6LIPEMEN1
SCHEMBL19975232 0.79 KMT2A (0.40) TDP1KMT2ACYP3A4LIPEMEN1
SCHEMBL19974853 0.79 TDP1 (0.35) NPC1RAB9ATDP1BACE1NAMPT
SCHEMBL21183503 0.78 TSHR (0.33) NPC1RAB9ATDP1KMT2ABACE1
SCHEMBL21183509 0.77 KMT2A (0.34) NPC1RAB9AHTR4TDP1KMT2A
SCHEMBL9891788 0.77 BACE1 (0.41) NPC1RAB9AHTR4TDP1KMT2A

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 NPC1 753/4885RAB9A 1576/4885HTR4 2268/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C NPC1 1213/4885RAB9A 1334/4885HTR4 2433/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C NPC1 753/4885RAB9A 1576/4885HTR4 2268/4885

“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.