SCHEMBL3049388

SCHEMBL3049388

O=C(O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.52
CTSC P53634 1/20 0.46
SLC6A3 Q01959 6/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 4/20 0.42

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
SCHEMBL3046920 1.00 BACE1 (0.52) BACE1CTSCSLC6A3SLC6A2SLC6A4
SCHEMBL3042249 1.00 BACE1 (0.52) BACE1CTSCSLC6A3SLC6A2SLC6A4
SCHEMBL3042030 1.00 BACE1 (0.52) BACE1CTSCSLC6A3SLC6A2SLC6A4
SCHEMBL3036976 0.85 KLK5 (0.51) BACE1
SCHEMBL8281497 0.85 KLK5 (0.51) BACE1
SCHEMBL13390560 0.85 KLK5 (0.51) BACE1
SCHEMBL7276779 0.80 LMNA (0.44)
Hydrochloric Acid SCHEMBL4365127 0.79 BACE1 (0.58) BACE1SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4365118 0.79 BACE1 (0.58) BACE1SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4365123 0.79 BACE1 (0.58) BACE1SLC6A3SLC6A2SLC6A4

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
US-7691818-B2 Peptidomimetic inhibitors of retroviral proteases and their use as antivirals Universita' Degli Studi Di Treiste (IT) 2010-04-06 US disclosed
EP-1768665-B1 PEPTIDOMIMETIC INHIBITORS OF HIV PROTEASE UNIV DEGLI STUDI TRIESTE (IT) 2008-11-05 EP disclosed
US-20070207968-A1 Peptidomimetic Inhibitors Of Retroviral Proteases And Their Use As Antivirals UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2007-09-06 US disclosed
EP-1768665-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS Universita'Degli Studi di Trieste (IT) 2007-04-04 EP disclosed
WO-2005123067-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2005-12-29 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-20070207968-A1 Peptidomimetic Inhibitors Of Retroviral Proteases And Their Use As Antivirals PREP, PEPD, DNPEP BACE1 73/4885CTSC 19/4885SLC6A3 2512/4885

“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.