SCHEMBL13705539

SCHEMBL13705539

Cc1ccc(OCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.55
▸ GPR183 P32249 1/20 0.44
▸ BCL9 O00512 3/20 0.44
▸ CTNNB1 P35222 3/20 0.44
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ GHSR Q92847 4/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ YAP1 P46937 1/20 0.39

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
SCHEMBL8113703 0.92 PARP1 (0.52) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL13705543 0.90 PARP1 (0.53) PARP1GPR183BCL9CTNNB1PDK1
SCHEMBL8123475 0.90 PARP1 (0.55) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL4860080 0.90 PARP1 (0.58) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL4860072 0.90 PARP1 (0.58) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL13340759 0.90 PARP1 (0.58) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL13705325 0.88 PARP1 (0.52) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL8122210 0.88 PARP1 (0.51) PARP1BCL9CTNNB1PDK1PDK2
SCHEMBL8112397 0.88 PARP1 (0.54) PARP1PDK1PDK2PDK3PDK4
SCHEMBL8123342 0.87 PARP1 (0.52) PARP1BCL9CTNNB1PDK1PDK2

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 PARP1 3523/4885GPR183 949/4885BCL9 4342/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885GPR183 949/4885BCL9 4342/4885

“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.

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