SCHEMBL13705461

SCHEMBL13705461

COC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc3nc(C)oc3c2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.39
HCRTR1 O43613 8/20 0.39
CHEK2 O96017 1/20 0.35
AVPR1B P47901 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TLR9 Q9NR96 4/20 0.33
TLR7 Q9NYK1 3/20 0.33

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
SCHEMBL4290209 0.97 HCRTR2 (0.41) HCRTR2HCRTR1CHEK2AVPR1BNPC1
SCHEMBL13705458 0.96 HCRTR2 (0.38) HCRTR2HCRTR1CHEK2AVPR1BNPC1
SCHEMBL4284128 0.92 HCRTR1 (0.40) HCRTR2HCRTR1CHEK2AVPR1BNPC1
SCHEMBL13810495 0.92 HCRTR2 (0.38) HCRTR2HCRTR1CHEK2AVPR1BRAB9A
SCHEMBL13705469 0.92 HCRTR2 (0.38) HCRTR2HCRTR1CHEK2AVPR1BRAB9A
SCHEMBL13705420 0.90 HCRTR1 (0.41) HCRTR2HCRTR1CHEK2AVPR1B
SCHEMBL8127245 0.90 HCRTR1 (0.41) HCRTR2HCRTR1CHEK2AVPR1B
SCHEMBL13705466 0.89 HCRTR1 (0.41) HCRTR2HCRTR1CHEK2AVPR1B
SCHEMBL13705460 0.88 HCRTR2 (0.37) HCRTR2HCRTR1CHEK2NPC1RAB9A
SCHEMBL13705478 0.88 HCRTR1 (0.44) HCRTR2HCRTR1CHEK2

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 4 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
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 HCRTR2 3136/4885HCRTR1 3147/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR2 3136/4885HCRTR1 3147/4885CHEK2 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.