SCHEMBL13705455

SCHEMBL13705455

CCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(OC)cc2Cl)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.38
HCRTR2 O43614 7/20 0.38
CHRM3 P20309 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
DRD3 P35462 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 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
SCHEMBL4291121 0.96 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3RAB9ANPC1
SCHEMBL13705454 0.95 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3
SCHEMBL13705447 0.93 HCRTR1 (0.35) HCRTR1HCRTR2CHRM3TAS1R3TAS1R1
SCHEMBL13705451 0.93 HCRTR1 (0.37) HCRTR1HCRTR2CHRM3GABRG2GABRB3
SCHEMBL4281556 0.91 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3
SCHEMBL4287970 0.90 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL13705448 0.89 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4295567 0.89 HCRTR1 (0.37) HCRTR1HCRTR2CHRM3
SCHEMBL13705474 0.89 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3
SCHEMBL13705444 0.89 HCRTR2 (0.40) HCRTR1HCRTR2CHRM3

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 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.