SCHEMBL6836540

SCHEMBL6836540

CNC(=O)c1coc(N2CC(C(C)(C)C)C2O[SiH](c2ccccc2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.35
RIPK1 Q13546 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
BRD4 O60885 5/20 0.31
PIK3CB P42338 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
FGFR1 P11362 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL5724986 0.90 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL5724044 0.89 DAGLA (0.35) RIPK1HCRTR1HCRTR2
SCHEMBL5723739 0.88 ALDH1A1 (0.38) HCRTR1HCRTR2
SCHEMBL5724371 0.85 HCRTR1 (0.36) RIPK1HCRTR1HCRTR2
SCHEMBL5723833 0.85 HCRTR1 (0.44) RIPK1HCRTR1HCRTR2
SCHEMBL5724350 0.84 HTR2C (0.36) HCRTR1HCRTR2
SCHEMBL5724184 0.83 RIPK1 (0.39) RIPK1HCRTR1HCRTR2
SCHEMBL5724359 0.83 HCRTR1 (0.33) RIPK1HCRTR1HCRTR2
SCHEMBL5724048 0.81
SCHEMBL5724097 0.80

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-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD TBXA2R 1822/4885RIPK1 2287/4885HCRTR1 4497/4885

“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.