SCHEMBL4294041

SCHEMBL4294041

COc1cc(F)ccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RBP4 P02753 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL4284656 0.96 FFAR1 (0.42) HCRTR1HCRTR2KMT2ARBP4KDM4E
SCHEMBL4285755 0.88 KDM4E (0.51) KMT2AHPGDKDM4EMEN1ALDH1A1
SCHEMBL4287638 0.88 LMNA (0.50) KMT2AHPGDKDM4EMEN1ALDH1A1
SCHEMBL4289383 0.87 RAB9A (0.43) KMT2AHPGDRBP4KDM4EMEN1
SCHEMBL4287265 0.87 KDM4E (0.45) KMT2AHPGDHSD17B10KDM4EMEN1
SCHEMBL4281912 0.86 KMT2A (0.50) KMT2AHPGDHSD17B10KDM4EMEN1
SCHEMBL4281106 0.86 BTK (0.39) KDM4EALDH1A1POLB
SCHEMBL4291256 0.85 PPARD (0.45) HPGDHSD17B10KDM4EALDH1A1
SCHEMBL4290774 0.85 DRD3 (0.49) HCRTR1HCRTR2KMT2AHPGDMEN1
SCHEMBL4285580 0.84 CPS1 (0.46) HCRTR1HCRTR2KDM4EFFAR1

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 HCRTR1 3147/4885HCRTR2 3136/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885KMT2A 1049/4885

“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.