SCHEMBL19974895

SCHEMBL19974895

O=C(NC1CCN(C(=O)NC2CCCC2)CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.54
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.43
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
USP30 Q70CQ3 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42

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
SCHEMBL21176161 0.98 DPP7 (0.54) DPP7KDM4ESMN1; SMN2NPSR1SIGMAR1
SCHEMBL21183549 0.92 EPHX2 (0.50) SMN1; SMN2CNR1CNR2P2RX7ALDH1A1
SCHEMBL19974981 0.89 P2RX7 (0.49) SMN1; SMN2SIGMAR1P2RX7KMT2AEPHX2
SCHEMBL21183582 0.87 P2RX7 (0.51) SIGMAR1HTTP2RX7ALDH1A1MEN1
SCHEMBL21183578 0.87 P2RX7 (0.51) SIGMAR1HTTP2RX7ALDH1A1MEN1
SCHEMBL21176360 0.86 KMT2A (0.45) DPP7SIGMAR1P2RX7MEN1KMT2A
SCHEMBL21176345 0.85 CAPN1 (0.45) SIGMAR1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL21176390 0.84 SIGMAR1 (0.42) DPP7SMN1; SMN2SIGMAR1P2RX7ITGB1
SCHEMBL21176233 0.83 GPR119 (0.50) KDM4ENPSR1MAPK1USP30MEN1
SCHEMBL21183583 0.82 P2RX7 (0.47) SMN1; SMN2SIGMAR1P2RX7ALDH1A1KMT2A

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 DPP7 586/4885KDM4E 3330/4885SMN1; SMN2 706/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C DPP7 514/4885KDM4E 3784/4885SMN1; SMN2 1086/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C DPP7 586/4885KDM4E 3330/4885SMN1; SMN2 706/4885

“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.