SCHEMBL13705148

SCHEMBL13705148

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2ccc(N3CCN(C(C)=O)CC3)cc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
TMEM97 Q5BJF2 9/20 0.34
SIGMAR1 Q99720 9/20 0.34
HTR1A P08908 2/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4293624 0.93 HCRTR1 (0.37) MAPTKDM4EHCRTR1HCRTR2USP2
SCHEMBL4284611 0.92 HCRTR1 (0.37) KDM4EHCRTR1HCRTR2PDE4BHSD11B1
SCHEMBL13705164 0.91 HCRTR1 (0.36) MAPTKDM4EHCRTR1HCRTR2PDE4B
SCHEMBL13705273 0.90 HCRTR1 (0.36) MAPTHCRTR1HCRTR2DRD3PDE4B
SCHEMBL13705268 0.89 HCRTR1 (0.35) KDM4EHCRTR1HCRTR2PDE4BHSD11B1
SCHEMBL13705272 0.88 HCRTR1 (0.34) MAPTKDM4EHCRTR1HCRTR2USP2
SCHEMBL13705153 0.87 HCRTR1 (0.37) HCRTR1HCRTR2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL4292787 0.86 HCRTR1 (0.37) MAPTKDM4EHCRTR1HCRTR2USP2
SCHEMBL13705165 0.86 HCRTR1 (0.35) HCRTR1HCRTR2PDE4BHSD11B1
SCHEMBL13705160 0.86 PARP1 (0.32) HCRTR1HCRTR2PDE4BHSD11B1

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 3 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
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 MAPT 3142/4885KDM4E 760/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885KDM4E 760/4885HCRTR1 3147/4885

“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.