SCHEMBL21325199

SCHEMBL21325199

CN(C)C(=O)C(C(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
PDF Q9HBH1 3/20 0.33
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 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
SCHEMBL21533963 0.85 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL6799803 0.74 DPP4 (0.36) DPP4ALDH1A1TSHRPDF
SCHEMBL12867291 0.74 ALDH1A1 (0.38) DPP4ALDH1A1TSHRPDF
SCHEMBL24462600 0.74
SCHEMBL14108242 0.74 ALDH1A1 (0.38) DPP4ALDH1A1TSHRPDF
SCHEMBL21325038 0.72 DPP4 (0.35) DPP4ALDH1A1TSHRPDF
SCHEMBL20177027 0.72 DPP4 (0.35) DPP4ALDH1A1TSHRPDF
SCHEMBL5103035 0.72 DPP4 (0.53) DPP4ALDH1A1TSHRPDFMAPT
SCHEMBL4956827 0.72 DPP4 (0.53) DPP4ALDH1A1TSHRPDFMAPT
SCHEMBL7608080 0.72 TSHR (0.33) DPP4ALDH1A1TSHRPDFNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 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 (2 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-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD DPP4 1451/4885ALDH1A1 972/4885TSHR 4777/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD DPP4 1451/4885ALDH1A1 972/4885TSHR 4777/4885

“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.