SCHEMBL13705451

SCHEMBL13705451

CCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cc(OC)ccc2C)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
CHRM3 P20309 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNA7 P36544 2/20 0.33
KCNH2 Q12809 1/20 0.32
USP19 O94966 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
SCHEMBL13705452 0.96 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3CHRNA7KCNH2
SCHEMBL13705474 0.95 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3MAPTNPSR1
SCHEMBL13819265 0.95 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3MAPTNPSR1
SCHEMBL4292457 0.95 HCRTR1 (0.39) HCRTR1HCRTR2CHRM3CHRNA7KCNH2
SCHEMBL13705454 0.94 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3MAPTNPSR1
SCHEMBL13705455 0.93 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3GABRG2GABRB3
SCHEMBL13705453 0.92 HCRTR2 (0.34) HCRTR1HCRTR2CHRM3
SCHEMBL13705473 0.91 HCRTR1 (0.40) HCRTR1HCRTR2CHRM3USP19
SCHEMBL4283059 0.90 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL13705440 0.89 ACP1 (0.34) HCRTR1HCRTR2CHRM3GABRG2GABRB3

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.