SCHEMBL4680091

SCHEMBL4680091

CC[C@@H](N)C(=O)NNC(=O)NCc1ccccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.46
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TPH1 P17752 1/20 0.42
BRD4 O60885 2/20 0.41
BRD9 Q9H8M2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
LIPG Q9Y5X9 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
SCHEMBL4676732 1.00 KCNQ2 (0.46) KCNQ2SCN2ASCN10AALDH1A1MEN1
SCHEMBL4676439 0.89 FABP3 (0.49) KCNQ2SCN2ASCN10AMEN1KMT2A
SCHEMBL4679625 0.89 FABP3 (0.49) KCNQ2SCN2ASCN10AMEN1KMT2A
SCHEMBL5281170 0.76 SCN2A (0.53) SCN2ASCN10AALDH1A1MEN1KMT2A
SCHEMBL4676452 0.76 ANPEP (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4678494 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHR
SCHEMBL4676430 0.76 ANPEP (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4677405 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHR
SCHEMBL19421297 0.75 ALDH1A1 (0.45) SCN2ASCN10AALDH1A1MEN1KMT2A
SCHEMBL2939291 0.75 SCN2A (0.54) KCNQ2SCN2ASCN10AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 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 (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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 KCNQ2 3646/4885SCN2A 1148/4885SCN10A 2704/4885

“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.