SCHEMBL4285580

SCHEMBL4285580

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 13/20 0.46
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MTNR1B P49286 1/20 0.39
FFAR1 O14842 1/20 0.38
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL4288262 0.88 FFAR1 (0.39) CPS1HCRTR1HCRTR2FFAR1PPARD
SCHEMBL4293913 0.88 DRD3 (0.45) HCRTR1HCRTR2KDM4E
SCHEMBL4284003 0.87 HCRTR1 (0.41) HCRTR1HCRTR2KDM4E
SCHEMBL4281669 0.86 KDM4E (0.39) CPS1HCRTR1HCRTR2KDM4E
SCHEMBL4290602 0.86 HCRTR1 (0.39) HCRTR1HCRTR2KDM4ELMNA
SCHEMBL4290115 0.85 ALDH1A1 (0.45) HCRTR1HCRTR2KDM4ELMNA
SCHEMBL4286355 0.85 HCRTR1 (0.44) CPS1HCRTR1HCRTR2KDM4ELMNA
SCHEMBL4291196 0.85 KDM4E (0.45) HCRTR1HCRTR2KDM4ELMNA
SCHEMBL4290199 0.85 HCRTR1 (0.41) HCRTR1HCRTR2KDM4E
SCHEMBL4286026 0.84 HPGD (0.49) KDM4E

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 CPS1 2464/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CPS1 2464/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.