SCHEMBL4284611

SCHEMBL4284611

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
HSD11B1 P28845 1/20 0.34
PDE4B Q07343 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHEK2 O96017 1/20 0.32
OPRK1 P41145 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
BCL9 O00512 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
SCHEMBL13705164 0.96 HCRTR1 (0.36) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA7
SCHEMBL13705273 0.96 HCRTR1 (0.36) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA7
SCHEMBL13705268 0.95 HCRTR1 (0.35) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA7
SCHEMBL13705272 0.94 HCRTR1 (0.34) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA7
SCHEMBL13705148 0.92 MAPT (0.35) HCRTR1HCRTR2HSD11B1PDE4BKDM4E
SCHEMBL13705275 0.91 HCRTR1 (0.34) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA7
SCHEMBL13705165 0.90 HCRTR1 (0.35) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705153 0.90 HCRTR1 (0.37) HCRTR1HCRTR2ENPP2ATXN2HSD11B1
SCHEMBL13705160 0.89 PARP1 (0.32) HCRTR1HCRTR2HSD11B1PDE4BPARP1
SCHEMBL4282753 0.89 HCRTR1 (0.38) HCRTR1HCRTR2KDM4ECHEK2OPRK1

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 3136/4885CHRNB2 4707/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHRNB2 4707/4885

“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.