SCHEMBL20240302

SCHEMBL20240302

NC(=O)OCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.34
MAOB P27338 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PARP15 Q460N3 3/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP2 Q9UGN5 2/20 0.33
NAAA Q02083 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
ACACB O00763 1/20 0.32
XDH P47989 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
SCHEMBL12352115 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC2ALOX15IRAK4
SCHEMBL111361 0.84
SCHEMBL30427433 0.84 PARP15 (0.42) LMNAALOX15PARP15PARP10PARP2
Hydrochloric Acid SCHEMBL28974199 0.82
SCHEMBL13195774 0.81 LMNA (0.40) HDAC3HDAC1HDAC2LMNAMAOB
SCHEMBL562129 0.80 LMNA (0.52) LMNAALOX15PARP15PARP10PARP2
SCHEMBL561524 0.80
SCHEMBL17180602 0.80 NAAA (0.40) HDAC3HDAC1HDAC2LMNAALOX15
SCHEMBL13034065 0.79 NLRP3 (0.38) HDAC3HDAC1HDAC2LMNAIRAK4
SCHEMBL8396762 0.78 LMNA (0.55) LMNAPARP15PARP10PARP2SLC1A3

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
WO-2024044744-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2024-02-29 WO disclosed
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug SHIONOGI & CO., LTD. (JP) 2021-06-22 US disclosed
US-10968213-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-06 US disclosed
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG SHIONOGI & CO., LTD. (JP) 2020-08-20 US disclosed
CN-108727363-B Novel cyclin dependent kinase CDK9 inhibitor 劲方医药科技(上海)有限公司 2020-06-19 CN disclosed
US-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-10-17 US disclosed
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-14 US 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 (5 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-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A HDAC3 1252/4885HDAC1 226/4885HDAC2 530/4885
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A HDAC3 1252/4885HDAC1 226/4885HDAC2 530/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A HDAC3 1252/4885HDAC1 226/4885HDAC2 530/4885
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG RNASEH1, RNASEL, RNPEP HDAC3 384/4885HDAC1 269/4885HDAC2 164/4885
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug RNASEH1, RNPEP, RNASEL HDAC3 320/4885HDAC1 245/4885HDAC2 129/4885

“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.