SCHEMBL3053577

SCHEMBL3053577

N[C@H](Cc1ccccc1)[C@@H](O)[C@@H](O)C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
BACE1 P56817 2/20 0.42
CTSC P53634 1/20 0.40
POLB P06746 1/20 0.38
SLC15A1 P46059 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
SCHEMBL13379918 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL13379919 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3045916 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3036936 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3044611 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL5543844 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL4368684 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL25339415 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTSCPOLB
SCHEMBL22461896 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTSCPOLB
SCHEMBL20833040 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTSCPOLB

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 3 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

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 SLC6A2 4200/4885SLC6A4 3506/4885SLC6A3 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.