SCHEMBL1887124

SCHEMBL1887124

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ncc(-c5cnc([C@@]6(C(C)(C)C)CCCN6C(=O)O)n5COCC[Si](C)(C)C)cn4)ccc3c2)n1COCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.33
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HPGDS O60760 3/20 0.31
DGAT1 O75907 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL1888628 0.94 DGAT1 (0.32) CHEK2CPT2CPT1AGPR119ALDH1A1
SCHEMBL1884892 0.92 CHEK2 (0.31) CHEK2GPR119
SCHEMBL1885144 0.91 CHEK2 (0.32) CHEK2GPR119
SCHEMBL932607 0.89 CHEK2 (0.36) CHEK2GPR119ALDH1A1MEN1LMNA
SCHEMBL1887118 0.89 CHEK2 (0.38) CHEK2GPR119ALDH1A1MEN1LMNA
SCHEMBL1887085 0.88 CHEK2 (0.33) CHEK2GPR119
SCHEMBL1890115 0.88 CHEK2 (0.32) CHEK2GPR119
SCHEMBL1888138 0.86 CHEK2 (0.31) CHEK2GPR119HPGDS
SCHEMBL933656 0.85 DGAT1 (0.32) DGAT1
SCHEMBL933654 0.85 CHEK2 (0.36) CHEK2GPR119ALDH1A1MEN1LMNA

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS CHEK2 3724/4885CPT2 2536/4885CPT1A 90/4885

“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.