SCHEMBL4469103

SCHEMBL4469103

CC(C)(C)C1CC(Oc2ncc(N)cn2)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.36
ACACB O00763 3/20 0.34
EPHX2 P34913 1/20 0.32
DPP4 P27487 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
RBP4 P02753 1/20 0.30
HCRTR1 O43613 1/20 0.30
LNPEP Q9UIQ6 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
SCHEMBL5962243 0.84 CYP2C19 (0.34) HMOX1ACACBEPHX2
SCHEMBL4107214 0.80 EPHX2 (0.37) HMOX1EPHX2RBP4HCRTR1
SCHEMBL4593696 0.79 GPR119 (0.34) ACACBEPHX2HCRTR1
SCHEMBL8530303 0.79 LPL (0.47) ACACB
SCHEMBL15789122 0.78
SCHEMBL28053867 0.78 OPRK1 (0.41) EPHX2CHRM2CHRM3
SCHEMBL8511076 0.76 DGAT1 (0.45) HMOX1HCRTR1
SCHEMBL8536867 0.76 CCR5 (0.40) EPHX2CHRM2CHRM3
SCHEMBL4593318 0.75 LOXL2 (0.30)
SCHEMBL2196095 0.75 OPRK1 (0.39) ACACBLNPEP

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
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HMOX1 1118/4885ACACB 4319/4885EPHX2 812/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HMOX1 1118/4885ACACB 4319/4885EPHX2 812/4885

“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.