SCHEMBL19974905

SCHEMBL19974905

O=C(O)C(=O)C1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.54
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.50
CAPN1 P07384 1/20 0.48
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL19975186 1.00 P2RX7 (0.54) P2RX7GAAKMT2ACAPN1ITGB1
SCHEMBL19975137 1.00 P2RX7 (0.54) P2RX7GAAKMT2ACAPN1ITGB1
SCHEMBL19974867 0.88 ALDH1A1 (0.54) P2RX7GAAKMT2AALDH1A1MEN1
SCHEMBL19975238 0.88 ALDH1A1 (0.54) P2RX7GAAKMT2AALDH1A1MEN1
SCHEMBL19974972 0.88 P2RX7 (0.56) P2RX7GAAKMT2AALDH1A1MEN1
SCHEMBL288651 0.88 P2RX7 (0.56) P2RX7GAAKMT2ACAPN1ITGB1
SCHEMBL288652 0.88 P2RX7 (0.56) P2RX7GAAKMT2ACAPN1ITGB1
SCHEMBL289574 0.88 P2RX7 (0.56) P2RX7GAAKMT2ACAPN1ITGB1
SCHEMBL21183520 0.87 GAA (0.56) P2RX7GAAKMT2AALDH1A1MEN1
SCHEMBL19975021 0.87 KMT2A (0.67) GAAKMT2AALDH1A1MAPTHTT

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 339/4885GAA 75/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885GAA 107/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885GAA 75/4885KMT2A 4031/4885

“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.