SCHEMBL13705309

SCHEMBL13705309

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCN(C(=O)C2CC2)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.34
ACHE P22303 1/20 0.34
PDE4B Q07343 1/20 0.34
HSD11B1 P28845 1/20 0.33
PARP1 P09874 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
USP19 O94966 1/20 0.31
ENPP2 Q13822 1/20 0.31
ATXN2 Q99700 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL13705308 0.94 PDE4B (0.34) OPRK1ACHEPDE4BHSD11B1PARP1
SCHEMBL4293024 0.93 ACHE (0.33) ACHEHTTUSP19
SCHEMBL4282056 0.87 ACHE (0.32) ACHEUSP19
SCHEMBL4284611 0.85 HCRTR1 (0.37) OPRK1PDE4BHSD11B1PARP1MAPK1
SCHEMBL13705153 0.85 HCRTR1 (0.37) OPRK1PDE4BHSD11B1PARP1MAPK1
SCHEMBL4286139 0.85 USP19 (0.37) ACHEHTTUSP19
SCHEMBL13705164 0.84 HCRTR1 (0.36) OPRK1PDE4BHSD11B1PARP1SMN1; SMN2
SCHEMBL4289495 0.84 USP19 (0.31) USP19
SCHEMBL13705268 0.84 HCRTR1 (0.35) OPRK1PDE4BHSD11B1PARP1ENPP2
SCHEMBL13705302 0.84 PDE4B (0.36) OPRK1PDE4BHSD11B1PARP1HTT

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-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 OPRK1 2640/4885ACHE 698/4885PDE4B 242/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885ACHE 698/4885PDE4B 242/4885

“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.