SCHEMBL4711564

SCHEMBL4711564

Nc1ccc(N2CCCN(CCO)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
DRD3 P35462 7/20 0.43
HDAC1 Q13547 3/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
RAB9A P51151 2/20 0.38
PER2 O15055 2/20 0.37
S1PR1 P21453 1/20 0.37
CRY2 Q49AN0 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8264815 0.84 DRD2 (0.41) DRD2DRD3HDAC1RAB9APER2
SCHEMBL4710512 0.81 LMNA (0.45) DRD2DRD3ALDH1A1POLBMAPT
SCHEMBL13666331 0.81 KDM4E (0.45) DRD2DRD3HDAC1DDB1CRBN
SCHEMBL17080505 0.76 DRD2 (0.48) DRD2DRD3HDAC1RAB9AS1PR1
SCHEMBL17080578 0.76 DRD2 (0.48) DRD2DRD3HDAC1RAB9AS1PR1
SCHEMBL5659037 0.76 DRD2 (0.65) DRD2DRD3HDAC1RAB9AMEN1
SCHEMBL4711615 0.75 MAPT (0.44) DRD2DRD3DDB1CRBNRAB9A
SCHEMBL3710958 0.74 DRD2 (0.52) DRD2DRD3HDAC1RAB9AS1PR1
SCHEMBL8471981 0.73 HDAC1 (0.56) DRD2DRD3HDAC1RAB9AS1PR1
SCHEMBL8470488 0.73 HDAC1 (0.57) DRD2DRD3HDAC1RAB9AS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2007-08-29 EP disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD DRD2 1659/4885DRD3 1634/4885HDAC1 569/4885

“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.