SCHEMBL4282919

SCHEMBL4282919

[CH2]CNC(=O)CC(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HPGD P15428 1/20 0.32
TET2 Q6N021 1/20 0.31

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
SCHEMBL5315927 0.83 HPGD (0.44) HPGD
SCHEMBL21516603 0.78 PIK3CD (0.48) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL23331075 0.75
SCHEMBL4282050 0.75
SCHEMBL4311511 0.74 MCL1 (0.47) PIK3CD
SCHEMBL18436000 0.73 PIK3CD (0.44) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL158577 0.72
SCHEMBL4282052 0.72
SCHEMBL20852906 0.70 PIK3CD (0.61) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL23265399 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO 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 (1 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 PIK3CD 389/4885HMGCR 4568/4885CHRM1 3936/4885

“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.