SCHEMBL13705166

SCHEMBL13705166

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2ccccc2C(=O)OC)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
PDE4B Q07343 1/20 0.34
HSD11B1 P28845 1/20 0.33
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
LCK P06239 2/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 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
SCHEMBL4285267 0.93 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AGAA
SCHEMBL13705153 0.92 HCRTR1 (0.37) HCRTR1HCRTR2PDE4BHSD11B1JAK2
SCHEMBL13705164 0.91 HCRTR1 (0.36) HCRTR1HCRTR2KMT2APDE4BHSD11B1
SCHEMBL13705165 0.89 HCRTR1 (0.35) HCRTR1HCRTR2PDE4BHSD11B1MAPK1
SCHEMBL4284611 0.88 HCRTR1 (0.37) HCRTR1HCRTR2PDE4BHSD11B1JAK2
SCHEMBL13705273 0.87 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2APDE4B
SCHEMBL13705302 0.87 PDE4B (0.36) MEN1KMT2APDE4BHSD11B1JAK2
SCHEMBL13705154 0.86 PDE4B (0.37) HCRTR1HCRTR2MEN1KMT2APDE4B
SCHEMBL13705272 0.86 HCRTR1 (0.34) HCRTR1HCRTR2KMT2ALCKMAPK1
SCHEMBL13705268 0.86 HCRTR1 (0.35) HCRTR1HCRTR2PDE4BHSD11B1JAK2

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 3136/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885MEN1 1254/4885

“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.