SCHEMBL4286355

SCHEMBL4286355

COc1ccc(Cl)c(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 1/20 0.44
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
DRD3 P35462 1/20 0.37
KMT2A Q03164 3/20 0.37
CPS1 P31327 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRK1 P41145 3/20 0.37
MEN1 O00255 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
OPRM1 P35372 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4293913 0.92 DRD3 (0.45) HCRTR1HCRTR2KDM4EDRD3KMT2A
SCHEMBL4281669 0.88 KDM4E (0.39) HCRTR1HCRTR2KDM4ETDP1GAA
SCHEMBL4288262 0.86 FFAR1 (0.39) HCRTR1HCRTR2KDM4ETDP1KMT2A
SCHEMBL4285580 0.85 CPS1 (0.46) HCRTR1HCRTR2KDM4ECPS1LMNA
SCHEMBL4286026 0.84 HPGD (0.49) KDM4EGAADRD3KMT2ASMN1; SMN2
SCHEMBL4290774 0.84 DRD3 (0.49) HCRTR1HCRTR2DRD3KMT2AMEN1
SCHEMBL4285970 0.83 KDM4E (0.51) HCRTR1HCRTR2KDM4ETDP1GAA
SCHEMBL4283481 0.82 MEN1 (0.47) KDM4EGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4289383 0.82 RAB9A (0.43) KDM4EGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4285982 0.82 DRD3 (0.41) HCRTR1HCRTR2KDM4EDRD3KMT2A

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 HCRTR1 3147/4885HCRTR2 3136/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885KDM4E 760/4885

“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.