SCHEMBL21176197

SCHEMBL21176197

CC(NS(=O)(=O)CCC1CCOCC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCR2 P41597 1/20 0.32
KAT8 Q9H7Z6 1/20 0.31
BACE1 P56817 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3B P49841 1/20 0.30
KCNH2 Q12809 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
SCHEMBL21176320 0.80 HTR4 (0.34) HTR4KMT2ANPC1RAB9ACCR2
SCHEMBL21176215 0.79 TDP1 (0.36) HTR4KMT2ANPC1RAB9ACCR2
SCHEMBL19975118 0.74 ITGB3 (0.41) HTR4KMT2ACYP3A4CYP2D6
SCHEMBL19974829 0.74 TDP1 (0.40) KMT2ACYP2D6
SCHEMBL19975367 0.72 NPC1 (0.34) HTR4KMT2ANPC1RAB9ABACE1
SCHEMBL21176198 0.71 MMP1 (0.32) KMT2ANPC1RAB9ABACE1
SCHEMBL19975234 0.71 F2 (0.43) KMT2ACYP3A4CYP2D6
SCHEMBL9891788 0.71 BACE1 (0.41) HTR4KMT2ANPC1RAB9ABACE1
SCHEMBL19975024 0.71 KMT2A (0.36) HTR4KMT2ANPC1RAB9ABACE1
SCHEMBL21183504 0.70 NPC1 (0.33) HTR4KMT2ANPC1RAB9ABACE1

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-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

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 HTR4 2268/4885KMT2A 4031/4885NPC1 753/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C HTR4 2433/4885KMT2A 4177/4885NPC1 1213/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C HTR4 2268/4885KMT2A 4031/4885NPC1 753/4885

“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.