SCHEMBL1706817

SCHEMBL1706817

O=C(O)/C=C/c1cnc(N[C@@H]2CCCN(CCc3cccc(F)c3)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
OPRM1 P35372 4/20 0.40
MAPK1 P28482 1/20 0.39
CCR3 P51677 1/20 0.39
ATM Q13315 1/20 0.39
CCNT1 O60563 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1706819 1.00 SLC6A3 (0.43) SLC6A3KDM4EALDH1A1HPGDOPRM1
SCHEMBL1707312 0.95 OPRM1 (0.42) SLC6A3OPRM1ATMTMEM97SIGMAR1
SCHEMBL1707309 0.95 OPRM1 (0.42) SLC6A3OPRM1ATMTMEM97SIGMAR1
SCHEMBL1707102 0.92 SLC6A3 (0.41) SLC6A3KDM4EALDH1A1HPGDMAPK1
SCHEMBL1707095 0.92 SLC6A3 (0.41) SLC6A3KDM4EALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL1706803 0.91 SLC6A3 (0.41) SLC6A3KDM4EALDH1A1HPGDMAPK1
SCHEMBL1707751 0.91 SLC6A3 (0.41) SLC6A3KDM4EALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL1707440 0.91 SLC6A3 (0.41) SLC6A3KDM4EALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL1706805 0.91 SLC6A3 (0.41) SLC6A3KDM4EALDH1A1HPGDMAPK1
SCHEMBL4229392 0.90 KAT2B (0.45) KDM4ESIGMAR1

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 SLC6A3 4089/4885KDM4E 450/4885ALDH1A1 266/4885

“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.