SCHEMBL13705273

SCHEMBL13705273

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCOc2ccc(C(=O)N3CCC3)cc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
HSD11B1 P28845 1/20 0.34
YAP1 P46937 1/20 0.34
SLC6A7 Q99884 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHEK2 O96017 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
JAK2 O60674 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
SCHEMBL4284611 0.96 HCRTR1 (0.37) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705164 0.94 HCRTR1 (0.36) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705268 0.93 HCRTR1 (0.35) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL4281981 0.93 HCRTR1 (0.38) HCRTR1HCRTR2HSD11B1CHEK2ALDH1A1
SCHEMBL13705272 0.92 HCRTR1 (0.34) HCRTR1HCRTR2ENPP2ATXN2CHRNB2
SCHEMBL13705148 0.90 MAPT (0.35) HCRTR1HCRTR2HSD11B1PDE4BMAPT
SCHEMBL13705275 0.90 HCRTR1 (0.34) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705165 0.89 HCRTR1 (0.35) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705153 0.88 HCRTR1 (0.37) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705160 0.88 PARP1 (0.32) HCRTR1HCRTR2HSD11B1JAK2JAK1

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 3136/4885ENPP2 3719/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885ENPP2 3719/4885

“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.