SCHEMBL13705302

SCHEMBL13705302

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCNc2ccccc2OC)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.36
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
ADORA1 P30542 1/20 0.32
LCK P06239 2/20 0.32
HSD11B1 P28845 1/20 0.32
OPRK1 P41145 1/20 0.31
GRIN2B Q13224 1/20 0.31
HTT P42858 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 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
SCHEMBL4290990 0.93 L3MBTL1 (0.31) MEN1KMT2AL3MBTL1HTT
SCHEMBL13705303 0.90 NPSR1 (0.35) PDE4BTP53ALDH1A1PARP1MAPK1
SCHEMBL13705153 0.87 HCRTR1 (0.37) PDE4BTSHRL3MBTL1PARP1MAPK1
SCHEMBL13705298 0.87 PDE4B (0.32) PDE4BPARP1MAPK1LCKHSD11B1
SCHEMBL13705166 0.87 HCRTR1 (0.34) PDE4BTP53MEN1KMT2ATSHR
SCHEMBL4288901 0.85 USP19 (0.35) L3MBTL1
SCHEMBL13705164 0.85 HCRTR1 (0.36) PDE4BKMT2APARP1MAPK1LCK
SCHEMBL4284611 0.85 HCRTR1 (0.37) PDE4BPARP1MAPK1LCKHSD11B1
SCHEMBL13705304 0.84 HCRTR1 (0.33) PDE4BMEN1KMT2ATSHRALDH1A1
SCHEMBL13705305 0.84 MAPT (0.35) PDE4BMEN1KMT2ATSHRALDH1A1

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 3 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-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 PDE4B 242/4885TP53 2535/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDE4B 242/4885TP53 2535/4885MEN1 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.