SCHEMBL1707552

SCHEMBL1707552

O=C(O)C=Cc1cnc(N[C@@H]2CCN(CCc3ccc(Cl)cc3)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
TEAD1 P28347 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
OPRM1 P35372 1/20 0.38
EBP Q15125 1/20 0.38
CCR2 P41597 1/20 0.38
MCHR1 Q99705 1/20 0.37
GRIN2B Q13224 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL1707549 1.00 CNR1 (0.41) CNR1CNR2JAK2JAK1TYK2
SCHEMBL1708477 0.94 KAT2B (0.41) CCR2
SCHEMBL1708479 0.94 KAT2B (0.41) CCR2
SCHEMBL4233884 0.92 JAK2 (0.47) CNR1CNR2JAK2JAK1TYK2
SCHEMBL4233874 0.92 JAK2 (0.47) CNR1CNR2JAK2JAK1TYK2
SCHEMBL5169737 0.91 SIGMAR1 (0.47) JAK1SIGMAR1OPRM1DRD2DRD4
SCHEMBL4225920 0.91 SIGMAR1 (0.47) JAK1SIGMAR1OPRM1DRD2DRD4
SCHEMBL4225925 0.91 SIGMAR1 (0.47) JAK1SIGMAR1OPRM1DRD2DRD4
SCHEMBL1707856 0.91 HDAC1 (0.45) CNR1CNR2JAK2JAK1TYK2
SCHEMBL1707854 0.91 HDAC1 (0.45) CNR1CNR2JAK2JAK1TYK2

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 CNR1 4275/4885CNR2 4268/4885JAK2 1923/4885

“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.