SCHEMBL4287420

SCHEMBL4287420

Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32

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
SCHEMBL4297009 0.81 KDM4E (0.47) MEN1KMT2AKDM4E
SCHEMBL4294380 0.80 S1PR4 (0.38) S1PR4PTGDR2HCRTR1HCRTR2MEN1
SCHEMBL4287418 0.79 KDM4E (0.47) MEN1KMT2AGAALMNAKDM4E
SCHEMBL4284003 0.79 HCRTR1 (0.41) HCRTR1HCRTR2GAAKDM4E
SCHEMBL4285755 0.79 KDM4E (0.51) MEN1KMT2ALMNAKDM4E
SCHEMBL4288941 0.79 KMT2A (0.35) MEN1KMT2AFNTAFNTBKDM4E
SCHEMBL4294041 0.78 HCRTR1 (0.40) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL4288262 0.78 FFAR1 (0.39) PTGDR2HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4284656 0.78 FFAR1 (0.42) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL4287638 0.78 LMNA (0.50) MEN1KMT2ALMNAKDM4E

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 S1PR4 2749/4885PTGDR2 1872/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT S1PR4 2749/4885PTGDR2 1872/4885HCRTR1 3147/4885

“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.