SCHEMBL4297248

SCHEMBL4297248

CCOC(=O)c1cc2cc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@@]4(O)COC)c3-c3ccccc3)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
SIGMAR1 Q99720 2/20 0.33
USP19 O94966 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL4282038 0.93 HCRTR1 (0.38) HCRTR1HCRTR2SIGMAR1USP19PPARG
SCHEMBL4293902 0.89 HCRTR1 (0.38) HCRTR1HCRTR2USP19PPARGPPARA
SCHEMBL4281825 0.88 HCRTR1 (0.38) HCRTR1HCRTR2USP19
SCHEMBL4289627 0.87 HCRTR1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4286361 0.87 HCRTR2 (0.38) HCRTR1HCRTR2USP19
SCHEMBL4285006 0.87 MEN1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4284952 0.86 NPC1 (0.37) HCRTR1HCRTR2USP19
SCHEMBL4287556 0.86 HCRTR1 (0.35) HCRTR1HCRTR2USP19
SCHEMBL4287922 0.86 HCRTR1 (0.42) HCRTR1HCRTR2USP19
SCHEMBL4287621 0.86 HCRTR1 (0.41) HCRTR1HCRTR2USP19

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 3136/4885SIGMAR1 3163/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885SIGMAR1 3163/4885

“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.