SCHEMBL4680873

SCHEMBL4680873

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
ANPEP P15144 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CASR P41180 1/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4676140 1.00 NPC1 (0.62) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4676691 0.87 ANPEP (0.61) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4680602 0.87 ANPEP (0.61) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4677405 0.86 ALDH1A1 (0.60) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4678494 0.86 ALDH1A1 (0.60) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4676041 0.84 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4676315 0.84 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4675868 0.84 NPC1 (0.56) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4677870 0.84 NPC1 (0.56) NPC1RAB9AANPEPALDH1A1KMT2A
SCHEMBL4679747 0.83 SLC1A2 (0.51) RAB9AALDH1A1KMT2AMEN1TSHR

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 NPC1 943/4885RAB9A 1434/4885ANPEP 112/4885

“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.