SCHEMBL19974981

SCHEMBL19974981

O=C(NC1CCC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.49
CAPN1 P07384 3/20 0.47
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44

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
SCHEMBL21183549 0.98 EPHX2 (0.50) P2RX7CAPN1EPHX2SMN1; SMN2GAA
SCHEMBL21183578 0.95 P2RX7 (0.51) P2RX7CAPN1GAAKMT2ASIGMAR1
SCHEMBL21183582 0.95 P2RX7 (0.51) P2RX7CAPN1GAAKMT2ASIGMAR1
SCHEMBL21176161 0.92 DPP7 (0.54) P2RX7CAPN1SMN1; SMN2GAAKMT2A
SCHEMBL21183583 0.90 P2RX7 (0.47) P2RX7CAPN1SMN1; SMN2GAAKMT2A
SCHEMBL21183550 0.90 CAPN1 (0.47) P2RX7CAPN1SMN1; SMN2GAAKMT2A
SCHEMBL19974895 0.89 DPP7 (0.54) P2RX7EPHX2SMN1; SMN2KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL19974912 0.89 CAPN1 (0.47) P2RX7CAPN1SMN1; SMN2GAAKMT2A
Hydrochloric Acid SCHEMBL19974798 0.89 CAPN1 (0.47) P2RX7CAPN1SMN1; SMN2GAAKMT2A
SCHEMBL19975222 0.88 P2RX7 (0.50) P2RX7CAPN1GAAKMT2AHDAC1

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 P2RX7 339/4885CAPN1 1497/4885EPHX2 1455/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885CAPN1 1555/4885EPHX2 1317/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885CAPN1 1497/4885EPHX2 1455/4885

“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.