SCHEMBL6156627

SCHEMBL6156627

COC(=O)c1cc(Cl)c(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.52
▸ PDE4D Q08499 3/20 0.52
▸ PDE4A P27815 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ CACNB4 O00305 1/20 0.47
▸ CACNA1A O00555 1/20 0.47
▸ CACNA1G O43497 1/20 0.47
▸ CACNG3 O60359 1/20 0.47
▸ CACNA1F O60840 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNB3 P54284 1/20 0.47
▸ CACNA2D1 P54289 1/20 0.47
▸ CACNG7 P62955 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ CACNA1D Q01668 1/20 0.47
▸ CACNB1 Q02641 1/20 0.47
▸ CACNG1 Q06432 1/20 0.47
▸ CACNB2 Q08289 1/20 0.47
▸ CACNA1S Q13698 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47

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
SCHEMBL12316429 0.90 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL12316430 0.89 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL7357830 0.87 GPR119 (0.54) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL3283282 0.84 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL3166432 0.82 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL30606457 0.82 GPR119 (0.53) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL7358039 0.82 GPR119 (0.53) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL18682160 0.82 GPR119 (0.52) PDE4BPDE4DPDE4APDE4CNPBWR1
SCHEMBL12437084 0.82 PDE4D (0.58) PDE4BPDE4DPDE4APDE4CCACNB4
SCHEMBL15864922 0.81 EED (0.49) PDE4BPDE4DPDE4APDE4CCACNB4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 — — US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 — — US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 — — US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 — — US disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 — — US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 — — EP 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 PDE4B 1956/4885PDE4D 2545/4885PDE4A 2034/4885
US-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 PDE4B 1288/4885PDE4D 1570/4885PDE4A 1113/4885

“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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