SCHEMBL4288262

SCHEMBL4288262

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
CPS1 P31327 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL4281669 0.92 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL4293913 0.88 DRD3 (0.45) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL4285580 0.88 CPS1 (0.46) FFAR1KDM4ECPS1HCRTR1HCRTR2
SCHEMBL4286355 0.86 HCRTR1 (0.44) KDM4EALDH1A1MEN1KMT2ACPS1
SCHEMBL4286026 0.85 HPGD (0.49) KDM4EALDH1A1KMT2A
SCHEMBL4285982 0.85 DRD3 (0.41) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL4290774 0.85 DRD3 (0.49) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL4290172 0.84 GPR183 (0.46) KDM4EMEN1KMT2ANPC1PPARD
SCHEMBL4285755 0.84 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL4285970 0.84 KDM4E (0.51) KDM4EALDH1A1KMT2ATDP1TSHR

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 FFAR1 3042/4885KDM4E 760/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT FFAR1 3042/4885KDM4E 760/4885ALDH1A1 388/4885

“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.