SCHEMBL20986906

SCHEMBL20986906

CC(C)(C)C1C(NCCNC(=O)OCc2ccccc2)CCCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.50
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
FKBP1A P62942 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL20986858 0.87 ALDH1A1 (0.56) PREPFKBP1AMEN1KMT2AALDH1A1
SCHEMBL22829603 0.85 FKBP1A (0.51) PREPDPP4DPP7FKBP1AALDH1A1
SCHEMBL7300040 0.84 PREP (0.51) PREPDPP4DPP8DPP9DPP7
SCHEMBL3272148 0.80 PREP (0.45) PREPFKBP1AMEN1KMT2AKEAP1
SCHEMBL25174200 0.78 PREP (0.55) PREPDPP4DPP8DPP9DPP7
SCHEMBL22541566 0.78 GAA (0.56) PREPDPP4DPP8DPP9DPP7
SCHEMBL21522762 0.77 ALDH1A1 (0.48) DPP4DPP7FKBP1ASMN1; SMN2ALDH1A1
SCHEMBL1938766 0.76 HTT (0.48) PREPFKBP1AMEN1KMT2AKEAP1
SCHEMBL31420576 0.76 PRCP (0.58) FKBP1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25186706 0.75 PREP (0.57) PREPDPP4DPP8DPP9DPP7

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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 PREP 3897/4885DPP4 3277/4885DPP8 2978/4885

“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.