SCHEMBL5034357

SCHEMBL5034357

CCS(=O)(=O)N1CCC(c2cn(COCC[Si](C)(C)C)c3c(C#N)cc(N(C)c4ccccc4)cc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.32
CHUK O15111 1/20 0.32
HRH2 P25021 4/20 0.31
GFER P55789 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PGR P06401 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30
DGAT1 O75907 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
SCHEMBL14031214 0.88 KMT2A (0.35) IKBKBCHUKHRH2GFERHTR2A
SCHEMBL4588828 0.84 HRH2 (0.32) HRH2
SCHEMBL5035303 0.83 CYP1A2 (0.32) GFERCYP2D6DGAT1
SCHEMBL5033942 0.81 NPC1 (0.36) PGR
SCHEMBL5035296 0.81 HRH2 (0.33) HRH2HTR2AHTR2CHTR2BPGR
SCHEMBL5034411 0.80 HRH2 (0.32) HRH2PGRDGAT1
SCHEMBL5037990 0.79 IRAK4 (0.32)
SCHEMBL5035290 0.74 IKBKB (0.52) IKBKBCHUKGFERPGRCYP2D6
SCHEMBL31215809 0.62 DGAT1 (0.31) DGAT1
SCHEMBL31215522 0.62 DGAT1 (0.31) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 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 (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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA IKBKB 8/4885CHUK 28/4885HRH2 270/4885

“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.