SCHEMBL25490648

SCHEMBL25490648

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50
TGM2 P21980 1/20 0.44
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43
FYN P06241 1/20 0.43
SRC P12931 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
ACHE P22303 2/20 0.40
EPHB4 P54760 2/20 0.40
TEK Q02763 2/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL21568091 0.82 MEN1 (0.58) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL31162390 0.80 TGM2 (0.58) MEN1KMT2AMAPTNPSR1TGM2
SCHEMBL21894170 0.80 TGM2 (0.58) MEN1KMT2AMAPTNPSR1TGM2
SCHEMBL13170071 0.80 MEN1 (0.57) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL25569162 0.80 MEN1 (0.51) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL20825702 0.79 MEN1 (0.56) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL11508898 0.79 TGM2 (0.61) MEN1KMT2AMAPTTGM2ALDH1A1
SCHEMBL23293735 0.79 TGM2 (0.47) MEN1KMT2AMAPTTGM2LMNA
SCHEMBL16097239 0.78 TGM2 (0.54) TGM2ALDH1A1LMNA
SCHEMBL16104950 0.78 TGM2 (0.46) MAPTTGM2ALDH1A1GAALMNA

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-11655221-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 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-11655221-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 MEN1 4491/4885KMT2A 1697/4885MAPT 4126/4885

“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.