SCHEMBL27106751

SCHEMBL27106751

CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27106377 1.00 ALDH1A1 (0.36) ALDH1A1CHRM2CHRM1CHRM3GPR119
SCHEMBL27108569 1.00 ALDH1A1 (0.36) ALDH1A1CHRM2CHRM1CHRM3GPR119
SCHEMBL24540367 1.00 ALDH1A1 (0.36) ALDH1A1CHRM2CHRM1CHRM3GPR119
SCHEMBL23555453 1.00 ALDH1A1 (0.36) ALDH1A1CHRM2CHRM1CHRM3GPR119
SCHEMBL141264 0.91 NR1H2 (0.36) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL15632355 0.91 NR1H2 (0.36) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL1882303 0.91 NR1H2 (0.36) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL573307 0.91 NR1H2 (0.36) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL9595376 0.91 NR1H2 (0.36) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL31234239 0.91 NR1H2 (0.36) ALDH1A1CHRM2CHRM1CHRM3TSHR

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-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 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-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO ALDH1A1 3005/4885CHRM2 2317/4885CHRM1 1407/4885

“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.