SCHEMBL4877902

SCHEMBL4877902

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2N)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.49
GPR119 Q8TDV5 3/20 0.47
PIK3CD O00329 3/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
KDM1A O60341 1/20 0.45
USP30 Q70CQ3 1/20 0.45
SCN9A Q15858 1/20 0.44
STS P08842 1/20 0.44
TACR1 P25103 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL18615447 1.00 PDE4B (0.49) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL18615672 1.00 PDE4B (0.49) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL18609604 0.94 GPR119 (0.53) PDE4BGPR119PDE4DPDE4APDE4C
SCHEMBL18615745 0.91 PDE4B (0.45) PDE4BGPR119PDE4DUSP30TACR1
SCHEMBL22462922 0.86 GPR119 (0.50) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL21723074 0.86 GPR119 (0.50) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL2339872 0.86 STS (0.51) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL2339564 0.86 STS (0.51) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL28590710 0.85 GPR119 (0.48) PDE4BGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL2406418 0.85 PDE4B (0.48) PDE4BGPR119USP30SCN9ASTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 WO disclosed
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 US disclosed
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 US disclosed
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 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 (3 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 PDE4B 1389/4885GPR119 183/4885PIK3CD 2858/4885
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity TIE1, FLT1, RET PDE4B 1697/4885GPR119 182/4885PIK3CD 539/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 PDE4B 1389/4885GPR119 183/4885PIK3CD 2858/4885

“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.