SCHEMBL25569162

SCHEMBL25569162

CC/C=C/C(=O)Nc1cc(C(C)C)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
DDX3X O00571 1/20 0.40
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
S1PR4 O95977 1/20 0.38
EGFR P00533 2/20 0.38
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL25490648 0.80 MEN1 (0.52) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL25463164 0.78 HTT (0.42) MAPTNPSR1GAAALDH1A1SMN1; SMN2
SCHEMBL21568091 0.77 MEN1 (0.58) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL13170071 0.76 MEN1 (0.57) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL12569539 0.75 MEN1 (0.53) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL20825702 0.74 MEN1 (0.56) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL4735003 0.74 ALDH1A1 (0.54) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL15644535 0.74 KMT2A (0.52) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL25068906 0.70 DEGS1 (0.52) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL15998602 0.69 KMT2A (0.48) MEN1KMT2AMAPTNPSR1MYOC

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-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 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-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 MEN1 4520/4885KMT2A 1794/4885MAPT 4124/4885

“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.