SCHEMBL13705447

SCHEMBL13705447

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.35
HCRTR2 O43614 10/20 0.35
CHRM3 P20309 3/20 0.33
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CACNA1F O60840 2/20 0.31
CACNA1D Q01668 2/20 0.31
CACNA1S Q13698 2/20 0.31
CACNA1C Q13936 2/20 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
SCHEMBL4295567 0.95 HCRTR1 (0.37) HCRTR1HCRTR2CHRM3HTR2CKDM4E
SCHEMBL13705455 0.93 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3TAS1R3TAS1R1
SCHEMBL13705481 0.92 HCRTR1 (0.40) HCRTR1HCRTR2CHRM3
SCHEMBL13705444 0.91 HCRTR2 (0.40) HCRTR1HCRTR2CHRM3
SCHEMBL13705445 0.90 HCRTR2 (0.36) HCRTR1HCRTR2HTR2CKDM4EGAA
SCHEMBL13705453 0.90 HCRTR2 (0.34) HCRTR1HCRTR2CHRM3
SCHEMBL13705475 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3
SCHEMBL13819440 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3
SCHEMBL13705454 0.90 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3HTR2C
SCHEMBL4291121 0.88 HCRTR1 (0.41) 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 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.