SCHEMBL499442

SCHEMBL499442

CN(C[C@@H](N)C[C@H]1CCCOC1)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL13242430 1.00 HTR2C (0.31) HTR2CSLC6A4CTSDCTSLCTSB
SCHEMBL499190 0.85 CTSK (0.40) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL499191 0.85 CTSK (0.40) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL3616377 0.82 ANPEP (0.34)
SCHEMBL3616372 0.82 ANPEP (0.34)
SCHEMBL2364187 0.82 ANPEP (0.34)
SCHEMBL2364185 0.82 ANPEP (0.34)
SCHEMBL2364260 0.82 ANPEP (0.34)
SCHEMBL2364257 0.82 ANPEP (0.34)
SCHEMBL3616374 0.82 ANPEP (0.34)

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
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156828-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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 (2 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-20100190829-A1 RENIN INHIBITORS ACE, REN, DNPEP HTR2C 4068/4885SLC6A4 1419/4885CTSD 75/4885
US-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP HTR2C 2973/4885SLC6A4 603/4885CTSD 38/4885

“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.