SCHEMBL19974822

SCHEMBL19974822

O=C(NC1CC1)C(=O)C1CCC(=O)N1CC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
EPHX1 P07099 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CAPN1 P07384 2/20 0.34
CCR1 P32246 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21183569 0.94 SMN1; SMN2 (0.40) HPGDEPHX1KMT2ASMN1; SMN2NPC1
SCHEMBL21176199 0.82 EPHX1 (0.36) EPHX1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL21176369 0.82 EPHX1 (0.36) EPHX1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL21176253 0.81 EPHX1 (0.39) EPHX1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL19975087 0.81 PTGER4 (0.35) KMT2ANPC1MAPTRAB9AP2RX7
SCHEMBL19975273 0.77 ACE (0.41) KMT2ANPC1MAPTP2RX7POLB
SCHEMBL21176376 0.76 POLB (0.36) EPHX1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21183549 0.76 EPHX2 (0.50) KMT2ASMN1; SMN2NPC1RAB9AGAA
SCHEMBL19974788 0.75 CYP3A4 (0.44) KMT2ASMN1; SMN2RAB9AALDH1A1P2RX7
SCHEMBL21183578 0.75 P2RX7 (0.51) KMT2AMAPTGAACAPN1ALDH1A1

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 HPGD 1205/4885EPHX1 372/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C HPGD 1156/4885EPHX1 449/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C HPGD 1205/4885EPHX1 372/4885KMT2A 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.