SCHEMBL13705481

SCHEMBL13705481

CCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(C)cc2F)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
CHRM3 P20309 9/20 0.33
CYP3A4 P08684 1/20 0.31
F2R P25116 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
SCHEMBL4288875 0.95 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3CYP3A4
SCHEMBL13705444 0.94 HCRTR2 (0.40) HCRTR1HCRTR2CHRM3
SCHEMBL13705447 0.92 HCRTR1 (0.35) HCRTR1HCRTR2CHRM3
SCHEMBL13819440 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3
SCHEMBL13705475 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3
SCHEMBL13705412 0.89 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3F2R
SCHEMBL4287970 0.89 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4284587 0.88 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL13705453 0.87 HCRTR2 (0.34) HCRTR1HCRTR2CHRM3
SCHEMBL4295398 0.87 HCRTR1 (0.42) HCRTR1HCRTR2

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 3136/4885CHRM3 3197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHRM3 3197/4885

“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.