SCHEMBL5864829

SCHEMBL5864829

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.53
▸ PDE4D Q08499 3/20 0.52
▸ PDE4B Q07343 3/20 0.52
▸ PDE4A P27815 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ KDM1A O60341 1/20 0.51
▸ NR1H2 P55055 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ CHEK2 O96017 1/20 0.44

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
SCHEMBL29964426 0.87 GPR119 (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL5971305 0.86 GPR119 (0.66) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2749734 0.86 PDE4B (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL27088055 0.86 F10 (0.51) PDE4BEPHX2
SCHEMBL4460693 0.85 PDE4B (0.54) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL15320871 0.85 EPHX2 (0.47) EPHX2
SCHEMBL19527650 0.84 PDE4B (0.43) GPR119PDE4BNR1H2EPHX2
SCHEMBL5971017 0.84 PDE4B (0.67) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL5971118 0.84 PDE4B (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL71246 0.84 EPHX2 (0.56) GPR119KDM1AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — US disclosed
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 — — US disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 — — EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 — — US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 — — US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 — — US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 — — EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 — — US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 — — EP disclosed
US-6350761-B1 INHIBITORS OF THE ENZYME, FACTOR XA; BERLEX LABORATORIES, INC. 2002-02-26 — — 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 (4 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS GPR119 1474/4885PDE4D 1427/4885PDE4B 855/4885
US-20040147555-A1 Benzamidine derivatives F9, F7, F2 GPR119 1622/4885PDE4D 3926/4885PDE4B 3861/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 GPR119 3838/4885PDE4D 4062/4885PDE4B 3983/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 GPR119 3852/4885PDE4D 4105/4885PDE4B 4031/4885

“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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