SCHEMBL1707309

SCHEMBL1707309

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.42
SIGMAR1 Q99720 4/20 0.42
TMEM97 Q5BJF2 1/20 0.40
MC4R P32245 1/20 0.40
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A3 Q01959 1/20 0.39
CACNA1G O43497 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL1707312 1.00 OPRM1 (0.42) OPRM1SIGMAR1TMEM97MC4RATM
SCHEMBL1706819 0.95 SLC6A3 (0.43) OPRM1SIGMAR1TMEM97ATMSLC6A3
SCHEMBL1706817 0.95 SLC6A3 (0.43) OPRM1SIGMAR1TMEM97ATMSLC6A3
SCHEMBL4233989 0.92 SIGMAR1 (0.49) SIGMAR1MC4RDRD2DRD4
SCHEMBL4233997 0.92 SIGMAR1 (0.49) SIGMAR1MC4RDRD2DRD4
SCHEMBL1707679 0.91 HDAC1 (0.42) OPRM1SIGMAR1TMEM97MC4RATM
SCHEMBL1707677 0.91 HDAC1 (0.42) OPRM1SIGMAR1TMEM97MC4RATM
Hydrochloric Acid SCHEMBL1707198 0.91 HDAC1 (0.41) OPRM1SIGMAR1TMEM97MC4RATM
Hydrochloric Acid SCHEMBL1707307 0.91 HDAC1 (0.41) OPRM1SIGMAR1TMEM97MC4RATM
SCHEMBL1706845 0.91 ATM (0.40) OPRM1SIGMAR1ATMSLC6A3CACNA1G

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 OPRM1 2148/4885SIGMAR1 2656/4885TMEM97 2610/4885

“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.