SCHEMBL4679514

SCHEMBL4679514

CCCC[C@@H](N)C(=O)NNC(=O)NCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 3/20 0.52
CASR P41180 1/20 0.48
ANPEP P15144 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 2/20 0.45
DPP7 Q9UHL4 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL4676353 1.00 HTT (0.54) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4675868 0.93 NPC1 (0.56) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4677870 0.93 NPC1 (0.56) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4678494 0.88 ALDH1A1 (0.60) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4677405 0.88 ALDH1A1 (0.60) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4680602 0.83 ANPEP (0.61) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4676691 0.83 ANPEP (0.61) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4680873 0.82 NPC1 (0.62) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4676140 0.82 NPC1 (0.62) HTTNPC1RAB9AALDH1A1CASR
SCHEMBL4679890 0.81 NPC1 (0.56) NPC1RAB9AALDH1A1CASRANPEP

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 9 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-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO 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
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 HTT 849/4885NPC1 943/4885RAB9A 1434/4885

“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.