SCHEMBL13705476

SCHEMBL13705476

CCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc3ccccc3c2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 7/20 0.41
CHEK2 O96017 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CHRM3 P20309 1/20 0.33
P2RY12 Q9H244 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
AVPR1B P47901 1/20 0.32
F2R P25116 1/20 0.32
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 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
SCHEMBL13705420 0.95 HCRTR1 (0.41) HCRTR1HCRTR2CHEK2CHRM3HRH3
SCHEMBL8127245 0.95 HCRTR1 (0.41) HCRTR1HCRTR2CHEK2CHRM3HRH3
SCHEMBL4285166 0.94 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2HRH3AVPR1B
SCHEMBL13705470 0.94 HCRTR1 (0.39) HCRTR1HCRTR2CHEK2CHRM3P2RY12
SCHEMBL13705578 0.94 HCRTR1 (0.39) HCRTR1HCRTR2CHEK2CHRM3P2RY12
SCHEMBL13705475 0.93 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2CHRM3
SCHEMBL13819440 0.93 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2CHRM3
SCHEMBL13705448 0.91 HCRTR1 (0.41) HCRTR1HCRTR2CHEK2CHRM3
SCHEMBL13819265 0.91 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2CHRM3
SCHEMBL13705474 0.91 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2CHRM3

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 3136/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885

“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.