SCHEMBL25132012

SCHEMBL25132012

CC(C)C(=O)C(N)CCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.39
RNPEP Q9H4A4 3/20 0.39
DNPEP Q9ULA0 3/20 0.39
DPP7 Q9UHL4 2/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32

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
SCHEMBL12132309 1.00 ANPEP (0.39) ANPEPRNPEPDNPEPDPP7GABRP
SCHEMBL13363467 1.00 ANPEP (0.39) ANPEPRNPEPDNPEPDPP7GABRP
SCHEMBL10046218 0.89 DPP7 (0.41) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL10046217 0.89 DPP7 (0.41) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL16488995 0.89 DPP7 (0.41) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL13300735 0.88 DPP7 (0.44) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL22387177 0.88 DPP7 (0.44) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL23988728 0.86 GNAI3 (0.44) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL26605966 0.86 ANPEP (0.37) ANPEPRNPEPDNPEPDPP7NPY4R
SCHEMBL20388782 0.85 ANPEP (0.31) ANPEPRNPEPDNPEP

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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
WO-2023056102-A1 NOVEL PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF ATAI Life Sciences AG (DE) 2023-04-06 WO 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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 ANPEP 642/4885RNPEP 1484/4885DNPEP 270/4885

“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.