SCHEMBL13705165

SCHEMBL13705165

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2cccc(C(=O)OC)c2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33
HSD11B1 P28845 1/20 0.33
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
PDE4B Q07343 1/20 0.33
USP30 Q70CQ3 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
MAPK1 P28482 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
PPARA Q07869 1/20 0.32
OPRK1 P41145 1/20 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
SCHEMBL13705164 0.94 HCRTR1 (0.36) HCRTR1HCRTR2NPC1RAB9AHSD11B1
SCHEMBL4287181 0.93 HCRTR1 (0.37) HCRTR1HCRTR2NPC1RAB9AMAPK1
SCHEMBL4284611 0.90 HCRTR1 (0.37) HCRTR1HCRTR2SPHK2HSD11B1BCL9
SCHEMBL13705298 0.90 PDE4B (0.32) NPC1RAB9AHSD11B1PDE4BUSP30
SCHEMBL13705273 0.89 HCRTR1 (0.36) HCRTR1HCRTR2NPC1RAB9AHSD11B1
SCHEMBL13705166 0.89 HCRTR1 (0.34) HCRTR1HCRTR2HSD11B1PDE4BMAPK1
SCHEMBL13705272 0.88 HCRTR1 (0.34) HCRTR1HCRTR2NPC1RAB9AUSP30
SCHEMBL13705268 0.88 HCRTR1 (0.35) HCRTR1HCRTR2HSD11B1BCL9CTNNB1
SCHEMBL4282753 0.87 HCRTR1 (0.38) HCRTR1HCRTR2RAB9AMAPK1CPT2
SCHEMBL13705160 0.87 PARP1 (0.32) HCRTR1HCRTR2HSD11B1BCL9CTNNB1

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-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 3136/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885NPC1 1165/4885

“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.