SCHEMBL4288884

SCHEMBL4288884

O=C(O)N1CCN(C(=O)O)[C@H](CCn2cnc3ccccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
EGLN3 Q9H6Z9 1/20 0.51
LMNA P02545 5/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
APAF1 O14727 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22121507 0.81 LMNA (0.61) ADRA2AEGLN3LMNAHTTNPSR1
SCHEMBL4281778 0.80 RAB9A (0.52) EGLN3TSHRAPAF1SMN1; SMN2KDM4E
SCHEMBL4290177 0.79 LMNA (0.45) LMNATSHRDRD2DRD4DRD3
SCHEMBL1581855 0.79 LMNA (0.67) ADRA2AEGLN3LMNAHTTNPSR1
SCHEMBL4290072 0.79 EGLN3 (0.50) ADRA2AEGLN3LMNAHTTNPSR1
SCHEMBL13705114 0.77 PARP1 (0.54) ADRA2AEGLN3LMNAHTTNPSR1
SCHEMBL4292117 0.76 ESR1 (0.52)
SCHEMBL4285897 0.75 KMO (0.51) NPSR1TSHRL3MBTL1SMN1; SMN2MEN1
SCHEMBL4284114 0.75 MCHR1 (0.35) TSHRALDH1A1
SCHEMBL4281619 0.74 STAT3 (0.51) HTTTSHRTDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ADRA2A 1573/4885EGLN3 1069/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ADRA2A 1573/4885EGLN3 1069/4885LMNA 1785/4885

“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.