SCHEMBL1706813

SCHEMBL1706813

N[C@@H]1CCCN(CCCc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 1/20 0.57
SIGMAR1 Q99720 5/20 0.57
LTA4H P09960 1/20 0.56
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL7289138 1.00 KDM4E (0.57) KDM4EKMT2ASIGMAR1LTA4HDRD2
SCHEMBL27350521 0.91 SLC6A3 (0.61) SIGMAR1LTA4HDRD2DRD3
SCHEMBL21197752 0.91 SLC6A3 (0.61) SIGMAR1LTA4HDRD2DRD3
SCHEMBL25285380 0.91 SLC6A3 (0.61) SIGMAR1LTA4HDRD2DRD3
SCHEMBL20683762 0.85 KDM4E (0.46) KDM4EKMT2ALTA4H
SCHEMBL31039760 0.83 LTA4H (0.55) KDM4ELTA4H
SCHEMBL20683798 0.82 HRH3 (0.55) SIGMAR1LTA4HDRD2
SCHEMBL20683799 0.82 HRH3 (0.55) SIGMAR1LTA4HDRD2
SCHEMBL20683715 0.82 HRH3 (0.55) SIGMAR1LTA4HDRD2
SCHEMBL19850993 0.82 L3MBTL1 (0.62) KDM4EKMT2ASIGMAR1LTA4H

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 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 (1 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 KDM4E 450/4885KMT2A 67/4885SIGMAR1 2656/4885

“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.