SCHEMBL4284757

SCHEMBL4284757

CC(=O)OCc1cn(CC[C@@H]2CN(C(=O)O)CCN2C(=O)O)nn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.35
ALOX5 P09917 3/20 0.34
DGAT1 O75907 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.32
KDM1A O60341 2/20 0.32
FFAR1 O14842 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4283151 0.85 HRH4 (0.34) HRH4HRH3POLBL3MBTL1
SCHEMBL4283869 0.83 POLB (0.44) ALOX5HRH4HRH3POLB
SCHEMBL4295181 0.81 DPP4 (0.33) GPR88
Hydrochloric Acid SCHEMBL4291345 0.80 GPR88 (0.36) GPR88ALOX5DGAT1SLC6A2SLC6A4
SCHEMBL4292395 0.79 ALDH1A1 (0.47) GPR88GLAPOLB
SCHEMBL4294620 0.77 CYP19A1 (0.36) GPR88HRH4HRH3
SCHEMBL4285493 0.72 LMNA (0.36) L3MBTL1
SCHEMBL4289928 0.72 GAA (0.34) NPC1
SCHEMBL4286285 0.71 L3MBTL1 (0.39) NPC1L3MBTL1
SCHEMBL4284114 0.70 MCHR1 (0.35)

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 2 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

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 GPR88 2034/4885ALOX5 1982/4885DGAT1 4697/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GPR88 2034/4885ALOX5 1982/4885DGAT1 4697/4885

“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.