SCHEMBL19974949

SCHEMBL19974949

O=CN(CC1CCOCC1)C(CCc1ccccc1)C(=O)C(=O)NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 14/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.36
CTSD P07339 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 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
SCHEMBL19975088 0.83 CTSD (0.39) NAPEPLDALDH1A1HTTBRD4CTSD
SCHEMBL19975101 0.82 NPC1 (0.31)
SCHEMBL19982729 0.80 NAPEPLD (0.35) NAPEPLDALDH1A1HTTBRD4CTSD
SCHEMBL19975147 0.78 CTSD (0.33) NAPEPLDCTSDKDM4E
SCHEMBL19974924 0.76 NAPEPLD (0.40) NAPEPLDALDH1A1BRD4CTSDKDM4E
SCHEMBL21183525 0.74 TDP1 (0.31)
SCHEMBL19975365 0.73 CXCR3 (0.42) NAPEPLDALDH1A1CTSD
SCHEMBL21176392 0.73 NPC1 (0.32) CTSDKDM4E
SCHEMBL21183563 0.72 CTSD (0.31) CTSD
SCHEMBL19974991 0.72 CTSD (0.31) CTSD

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 NAPEPLD 614/4885ALDH1A1 2271/4885HTT 3380/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C NAPEPLD 603/4885ALDH1A1 2673/4885HTT 3569/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C NAPEPLD 614/4885ALDH1A1 2271/4885HTT 3380/4885

“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.